N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide

C12H14N2O3 — CID 110476049

IUPACN-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide
SMILESCN(CC(N)=O)C(=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-14(8-11(13)16)12(17)7-10(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,16)
InChIKeyFVEDRYLTJZSAMM-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.20
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide

N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide (PubChem CID 110476049) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide
PubChem CID110476049
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide
SMILESCN(CC(N)=O)C(=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c1-14(8-11(13)16)12(17)7-10(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,16)
InChIKeyFVEDRYLTJZSAMM-UHFFFAOYSA-N
XLogP0.20
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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3,3-difluoro-N-methyl-N-phenacylpropanamide
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N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
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(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
(3S)-N-(2-amino-2-oxoethyl)-N,3-dimethyl-5-phenylpentanamide
CID 94219124
4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627
CID 6332799
CID 6332799
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
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N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide (CID 110476049) is N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide is CN(CC(N)=O)C(=O)CC(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide?
The InChIKey is FVEDRYLTJZSAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14(8-11(13)16)12(17)7-10(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,16).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide?
N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide has a molecular weight of 234.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110476049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).