4-(3-acetamidopropanoylamino)benzamide

C12H15N3O3 — CID 2536681

IUPAC4-(3-acetamidopropanoylamino)benzamide
SMILESCC(=O)NCCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15N3O3/c1-8(16)14-7-6-11(17)15-10-4-2-9(3-5-10)12(13)18/h2-5H,6-7H2,1H3,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyKNWTZUQIVHSFPB-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.25
Rot. Bonds5

About 4-(3-acetamidopropanoylamino)benzamide

4-(3-acetamidopropanoylamino)benzamide (PubChem CID 2536681) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(3-acetamidopropanoylamino)benzamide.

Molecular Properties

Compound Name4-(3-acetamidopropanoylamino)benzamide
PubChem CID2536681
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-(3-acetamidopropanoylamino)benzamide
SMILESCC(=O)NCCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15N3O3/c1-8(16)14-7-6-11(17)15-10-4-2-9(3-5-10)12(13)18/h2-5H,6-7H2,1H3,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyKNWTZUQIVHSFPB-UHFFFAOYSA-N
XLogP0.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(3-acetamidopropanoylamino)benzamide 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

p-Aminohippuric acid
CID 2148
Procainamide
CID 4913
N-Acetylprocainamide
CID 4342
Procainamide Hydrochloride
CID 66068
Tacedinaline
CID 2746
Balicatib
CID 10201696
Ameltolide
CID 13086
4-(Diethylamino)benzaldehyde
CID 67114
Dinaline
CID 42725
Acecainide Hydrochloride
CID 71417
2-Amino-N-isopropylbenzamide
CID 94411
Sodium p-aminohippurate
CID 443971

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidopropanoylamino)benzamide?
The IUPAC name of 4-(3-acetamidopropanoylamino)benzamide (CID 2536681) is 4-(3-acetamidopropanoylamino)benzamide.
What is the SMILES notation for 4-(3-acetamidopropanoylamino)benzamide?
The canonical SMILES for 4-(3-acetamidopropanoylamino)benzamide is CC(=O)NCCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(3-acetamidopropanoylamino)benzamide?
The InChIKey is KNWTZUQIVHSFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(16)14-7-6-11(17)15-10-4-2-9(3-5-10)12(13)18/h2-5H,6-7H2,1H3,(H2,13,18)(H,14,16)(H,15,17).
What are the key properties of 4-(3-acetamidopropanoylamino)benzamide?
4-(3-acetamidopropanoylamino)benzamide has a molecular weight of 249.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidopropanoylamino)benzamide is sourced from PubChem (CID 2536681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).