3-[(4-acetylbenzoyl)amino]propylcarbamic acid

C13H16N2O4 — CID 130234189

IUPAC3-[(4-acetylbenzoyl)amino]propylcarbamic acid
SMILESCC(=O)c1ccc(C(=O)NCCCNC(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(16)10-3-5-11(6-4-10)12(17)14-7-2-8-15-13(18)19/h3-6,15H,2,7-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyAEOYPQGFIVZPCG-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.28
Rot. Bonds6

About 3-[(4-acetylbenzoyl)amino]propylcarbamic acid

3-[(4-acetylbenzoyl)amino]propylcarbamic acid (PubChem CID 130234189) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(4-acetylbenzoyl)amino]propylcarbamic acid.

Molecular Properties

Compound Name3-[(4-acetylbenzoyl)amino]propylcarbamic acid
PubChem CID130234189
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[(4-acetylbenzoyl)amino]propylcarbamic acid
SMILESCC(=O)c1ccc(C(=O)NCCCNC(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(16)10-3-5-11(6-4-10)12(17)14-7-2-8-15-13(18)19/h3-6,15H,2,7-8H2,1H3,(H,14,17)(H,18,19)
InChIKeyAEOYPQGFIVZPCG-UHFFFAOYSA-N
XLogP1.28
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4-acetylbenzoyl)amino]propylcarbamic acid 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

5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
N-(4-oxopentyl)benzamide
CID 10798281
4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide
CID 142091333

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylbenzoyl)amino]propylcarbamic acid?
The IUPAC name of 3-[(4-acetylbenzoyl)amino]propylcarbamic acid (CID 130234189) is 3-[(4-acetylbenzoyl)amino]propylcarbamic acid.
What is the SMILES notation for 3-[(4-acetylbenzoyl)amino]propylcarbamic acid?
The canonical SMILES for 3-[(4-acetylbenzoyl)amino]propylcarbamic acid is CC(=O)c1ccc(C(=O)NCCCNC(=O)O)cc1.
What is the InChIKey of 3-[(4-acetylbenzoyl)amino]propylcarbamic acid?
The InChIKey is AEOYPQGFIVZPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(16)10-3-5-11(6-4-10)12(17)14-7-2-8-15-13(18)19/h3-6,15H,2,7-8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 3-[(4-acetylbenzoyl)amino]propylcarbamic acid?
3-[(4-acetylbenzoyl)amino]propylcarbamic acid has a molecular weight of 264.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylbenzoyl)amino]propylcarbamic acid is sourced from PubChem (CID 130234189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).