3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119738339

IUPAC3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-12-6-4-5-11(9-12)15(20)17-10-14(19)18-13-7-2-1-3-8-13;/h1-3,7-8,11-12H,4-6,9-10,16H2,(H,17,20)(H,18,19);1H
InChIKeyXGUAYHUEBONRHK-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.68
Rot. Bonds4

About 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119738339) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119738339
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-12-6-4-5-11(9-12)15(20)17-10-14(19)18-13-7-2-1-3-8-13;/h1-3,7-8,11-12H,4-6,9-10,16H2,(H,17,20)(H,18,19);1H
InChIKeyXGUAYHUEBONRHK-UHFFFAOYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride 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-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119747250
3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119738004
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119762950
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782888
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119750884
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119738339) is 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NCC(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XGUAYHUEBONRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-12-6-4-5-11(9-12)15(20)17-10-14(19)18-13-7-2-1-3-8-13;/h1-3,7-8,11-12H,4-6,9-10,16H2,(H,17,20)(H,18,19);1H.
What are the key properties of 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119738339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).