N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide

C14H18N2O3 — CID 54880254

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H18N2O3/c1-9(17)7-14(19)15-10(2)12-5-4-6-13(8-12)16-11(3)18/h4-6,8,10H,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyGXNXEAWFHJWQMR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.80
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide

N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide (PubChem CID 54880254) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
PubChem CID54880254
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C14H18N2O3/c1-9(17)7-14(19)15-10(2)12-5-4-6-13(8-12)16-11(3)18/h4-6,8,10H,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyGXNXEAWFHJWQMR-UHFFFAOYSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide 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-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
CID 79844247
N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60979759
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide (CID 54880254) is N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide is CC(=O)CC(=O)NC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide?
The InChIKey is GXNXEAWFHJWQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(17)7-14(19)15-10(2)12-5-4-6-13(8-12)16-11(3)18/h4-6,8,10H,7H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide?
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide has a molecular weight of 262.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide is sourced from PubChem (CID 54880254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).