3-formamido-2-oxo-N-(1-phenylethyl)propanamide

C12H14N2O3 — CID 142267744

IUPAC3-formamido-2-oxo-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(=O)CNC=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-9(10-5-3-2-4-6-10)14-12(17)11(16)7-13-8-15/h2-6,8-9H,7H2,1H3,(H,13,15)(H,14,17)
InChIKeyBNBXGEJWSIMBMR-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.18
Rot. Bonds6

About 3-formamido-2-oxo-N-(1-phenylethyl)propanamide

3-formamido-2-oxo-N-(1-phenylethyl)propanamide (PubChem CID 142267744) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-formamido-2-oxo-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-formamido-2-oxo-N-(1-phenylethyl)propanamide
PubChem CID142267744
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-formamido-2-oxo-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(=O)CNC=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-9(10-5-3-2-4-6-10)14-12(17)11(16)7-13-8-15/h2-6,8-9H,7H2,1H3,(H,13,15)(H,14,17)
InChIKeyBNBXGEJWSIMBMR-UHFFFAOYSA-N
XLogP0.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-formamido-2-oxo-N-(1-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide
CID 142091069
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
2-[[4-(diethylamino)phenyl]methylidene]-N,N'-bis[(1R)-1-phenylethyl]propanediamide
CID 2375722
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 6247193

Frequently Asked Questions

What is the IUPAC name of 3-formamido-2-oxo-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-formamido-2-oxo-N-(1-phenylethyl)propanamide (CID 142267744) is 3-formamido-2-oxo-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-formamido-2-oxo-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-formamido-2-oxo-N-(1-phenylethyl)propanamide is CC(NC(=O)C(=O)CNC=O)c1ccccc1.
What is the InChIKey of 3-formamido-2-oxo-N-(1-phenylethyl)propanamide?
The InChIKey is BNBXGEJWSIMBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9(10-5-3-2-4-6-10)14-12(17)11(16)7-13-8-15/h2-6,8-9H,7H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 3-formamido-2-oxo-N-(1-phenylethyl)propanamide?
3-formamido-2-oxo-N-(1-phenylethyl)propanamide has a molecular weight of 234.25 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-2-oxo-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 142267744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).