Molecule

N,N-dimethylacetamide

AlkaPlorer ID: AK066062

Synonym: 'dimethylacetamide'

IUPAC Name: N,N-dimethylacetamide

SMILES: CC(=O)N(C)C

InChI: InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3

InChIKey: FXHOOIRPVKKKFG-UHFFFAOYSA-N

PubChem CID: 31374

CAS: 127-19-5

NPASS: NPC166294

COCONUT: CNP0083052

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lonicera japonica	Lonicera	Caprifoliaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
None	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	Bacillati	Bacteria
Streptomyces sp.	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	Bacillati	Bacteria

Molecule Weight: 87.122

TPSA？: 20.31

MolLogP？: 0.0945

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	ADMET	kOH	2.3	M-1 s-1	10.1021/jm0111245
None	Erythroleukemia cell line	Benzidine positive cells	84.0	%	10.1021/jm00141a016
None	Erythroleukemia cell line	Cell growth	21.0	%	10.1021/jm00141a016
None	Erythroleukemia cell line	Cell growth	32.0	%	10.1021/jm00141a016
None	Erythroleukemia cell line	Concentration	40.0	mM	10.1021/jm00141a016
None	No relevant target	Log S	1.11	None	10.1016/s0960-894x(00)00172-4

AKRT ID	Reaction	Reaction Link ID
AKRT002273	CC(=O)N(C)C>>CC(=O)O	enzymemap_77640
AKRT002274	CC(=O)N(C)C>>CNC	enzymemap_77640