3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide

C22H27N3O2 — CID 54795525

IUPAC3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
SMILESNc1ccccc1CCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H27N3O2/c23-20-12-5-4-7-16(20)13-14-21(26)24-19-11-6-8-17(15-19)22(27)25-18-9-2-1-3-10-18/h4-8,11-12,15,18H,1-3,9-10,13-14,23H2,(H,24,26)(H,25,27)
InChIKeyITJIWQORRFEAND-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.90
Rot. Bonds6

About 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide

3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide (PubChem CID 54795525) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
PubChem CID54795525
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
SMILESNc1ccccc1CCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H27N3O2/c23-20-12-5-4-7-16(20)13-14-21(26)24-19-11-6-8-17(15-19)22(27)25-18-9-2-1-3-10-18/h4-8,11-12,15,18H,1-3,9-10,13-14,23H2,(H,24,26)(H,25,27)
InChIKeyITJIWQORRFEAND-UHFFFAOYSA-N
XLogP3.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide 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,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 54795481
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120609510
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
CID 66386042
N-cyclopropyl-3-[3-(furan-2-yl)propanoylamino]benzamide
CID 9360830
3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 120608755
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide (CID 54795525) is 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide is Nc1ccccc1CCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide?
The InChIKey is ITJIWQORRFEAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-20-12-5-4-7-16(20)13-14-21(26)24-19-11-6-8-17(15-19)22(27)25-18-9-2-1-3-10-18/h4-8,11-12,15,18H,1-3,9-10,13-14,23H2,(H,24,26)(H,25,27).
What are the key properties of 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide?
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54795525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).