N-butanoyl-N-propylbenzamide

C14H19NO2 — CID 70941556

IUPACN-butanoyl-N-propylbenzamide
SMILESCCCC(=O)N(CCC)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-8-13(16)15(11-4-2)14(17)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3
InChIKeyAQPJNJPJPNUXEM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.87
Rot. Bonds5

About N-butanoyl-N-propylbenzamide

N-butanoyl-N-propylbenzamide (PubChem CID 70941556) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-butanoyl-N-propylbenzamide.

Molecular Properties

Compound NameN-butanoyl-N-propylbenzamide
PubChem CID70941556
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-butanoyl-N-propylbenzamide
SMILESCCCC(=O)N(CCC)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-8-13(16)15(11-4-2)14(17)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3
InChIKeyAQPJNJPJPNUXEM-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butanoyl-N-propylbenzamide 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-(benzenecarbonothioyl)-N-propylbenzamide
CID 71326670
N'-butanoyl-N-methylbenzohydrazide
CID 151710064
N-(ethylcarbamoyl)-N-propylbutanamide
CID 91362327
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
1-phenylbutan-1-one
CID 10315
N-ethanethioyl-N-ethylbenzamide
CID 45118543
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
1-phenylbutan-1-one;hydrobromide
CID 139638507
N-carbamothioyl-N-decylbenzamide
CID 161130418
N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide
CID 11771780
methanethiol;1-phenylbutan-1-one
CID 143799522
molecular hydrogen;1-phenylbutan-1-one
CID 142208814

Frequently Asked Questions

What is the IUPAC name of N-butanoyl-N-propylbenzamide?
The IUPAC name of N-butanoyl-N-propylbenzamide (CID 70941556) is N-butanoyl-N-propylbenzamide.
What is the SMILES notation for N-butanoyl-N-propylbenzamide?
The canonical SMILES for N-butanoyl-N-propylbenzamide is CCCC(=O)N(CCC)C(=O)c1ccccc1.
What is the InChIKey of N-butanoyl-N-propylbenzamide?
The InChIKey is AQPJNJPJPNUXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-8-13(16)15(11-4-2)14(17)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3.
What are the key properties of N-butanoyl-N-propylbenzamide?
N-butanoyl-N-propylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butanoyl-N-propylbenzamide is sourced from PubChem (CID 70941556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).