N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride

C19H28ClN3O2 — CID 119422541

IUPACN-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C19H27N3O2.ClH/c20-16-7-3-4-8-17(16)22-19(24)14-9-11-15(12-10-14)21-18(23)13-5-1-2-6-13;/h3-4,7-8,13-15H,1-2,5-6,9-12,20H2,(H,21,23)(H,22,24);1H
InChIKeyJEEDCYJOHBLXJQ-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.49
Rot. Bonds4

About N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride

N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119422541) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119422541
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C19H27N3O2.ClH/c20-16-7-3-4-8-17(16)22-19(24)14-9-11-15(12-10-14)21-18(23)13-5-1-2-6-13;/h3-4,7-8,13-15H,1-2,5-6,9-12,20H2,(H,21,23)(H,22,24);1H
InChIKeyJEEDCYJOHBLXJQ-UHFFFAOYSA-N
XLogP3.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 120568580
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 91659324
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119422273

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride (CID 119422541) is N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride is Cl.Nc1ccccc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is JEEDCYJOHBLXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c20-16-7-3-4-8-17(16)22-19(24)14-9-11-15(12-10-14)21-18(23)13-5-1-2-6-13;/h3-4,7-8,13-15H,1-2,5-6,9-12,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride?
N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119422541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).