2-(dimethylamino)-N-(2-oxoethyl)propanamide

C7H14N2O2 — CID 21254696

IUPAC2-(dimethylamino)-N-(2-oxoethyl)propanamide
SMILESCC(C(=O)NCC=O)N(C)C
InChIInChI=1S/C7H14N2O2/c1-6(9(2)3)7(11)8-4-5-10/h5-6H,4H2,1-3H3,(H,8,11)
InChIKeyAHAQEKWEGXCUTR-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.75
Rot. Bonds4

About 2-(dimethylamino)-N-(2-oxoethyl)propanamide

2-(dimethylamino)-N-(2-oxoethyl)propanamide (PubChem CID 21254696) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-oxoethyl)propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-oxoethyl)propanamide
PubChem CID21254696
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(dimethylamino)-N-(2-oxoethyl)propanamide
SMILESCC(C(=O)NCC=O)N(C)C
InChIInChI=1S/C7H14N2O2/c1-6(9(2)3)7(11)8-4-5-10/h5-6H,4H2,1-3H3,(H,8,11)
InChIKeyAHAQEKWEGXCUTR-UHFFFAOYSA-N
XLogP-0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
2-methyl-4-oxo-N-(2-oxoethyl)butanamide
CID 138599204
3-[2-(dimethylamino)propanoylamino]propanoic acid
CID 126638716
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide
CID 156664659
2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide
CID 170071630
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753
1-(2-methylpropyl)-3-(2-oxoethyl)urea
CID 117235660
2-(dimethylamino)-N-(4-iodophenyl)propanamide
CID 91154002
(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
CID 91405753
4-amino-N-(2-oxoethyl)pentanamide
CID 143686044

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-oxoethyl)propanamide?
The IUPAC name of 2-(dimethylamino)-N-(2-oxoethyl)propanamide (CID 21254696) is 2-(dimethylamino)-N-(2-oxoethyl)propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-oxoethyl)propanamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-oxoethyl)propanamide is CC(C(=O)NCC=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(2-oxoethyl)propanamide?
The InChIKey is AHAQEKWEGXCUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(9(2)3)7(11)8-4-5-10/h5-6H,4H2,1-3H3,(H,8,11).
What are the key properties of 2-(dimethylamino)-N-(2-oxoethyl)propanamide?
2-(dimethylamino)-N-(2-oxoethyl)propanamide has a molecular weight of 158.20 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-oxoethyl)propanamide is sourced from PubChem (CID 21254696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).