3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide

C16H23N3O2 — CID 119315863

IUPAC3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
SMILESNC(=O)c1cccc(CCNC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H23N3O2/c17-14(20)13-6-4-5-12(11-13)7-10-19-15(21)16(18)8-2-1-3-9-16/h4-6,11H,1-3,7-10,18H2,(H2,17,20)(H,19,21)
InChIKeyBVMGXUKWKURXLB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.11
Rot. Bonds5

About 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide

3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide (PubChem CID 119315863) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
PubChem CID119315863
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
SMILESNC(=O)c1cccc(CCNC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H23N3O2/c17-14(20)13-6-4-5-12(11-13)7-10-19-15(21)16(18)8-2-1-3-9-16/h4-6,11H,1-3,7-10,18H2,(H2,17,20)(H,19,21)
InChIKeyBVMGXUKWKURXLB-UHFFFAOYSA-N
XLogP1.11
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]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

3-[2-[(1-benzylcyclobutanecarbonyl)amino]ethyl]benzamide
CID 71920831
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119310374
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 119316887
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316878
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 81172071
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 119307278

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide?
The IUPAC name of 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide (CID 119315863) is 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide?
The canonical SMILES for 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide is NC(=O)c1cccc(CCNC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide?
The InChIKey is BVMGXUKWKURXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14(20)13-6-4-5-12(11-13)7-10-19-15(21)16(18)8-2-1-3-9-16/h4-6,11H,1-3,7-10,18H2,(H2,17,20)(H,19,21).
What are the key properties of 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide?
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide is sourced from PubChem (CID 119315863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).