N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride

C20H30ClN3O3 — CID 119421456

IUPACN-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-26-16-10-11-17(21)18(12-16)23-20(25)14-6-8-15(9-7-14)22-19(24)13-4-2-3-5-13;/h10-15H,2-9,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyXWCYKZKXSZNHCG-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.50
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119421456) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119421456
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-26-16-10-11-17(21)18(12-16)23-20(25)14-6-8-15(9-7-14)22-19(24)13-4-2-3-5-13;/h10-15H,2-9,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyXWCYKZKXSZNHCG-UHFFFAOYSA-N
XLogP3.50
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119422541
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 120568580
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330891

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride (CID 119421456) is N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride is COc1ccc(N)c(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XWCYKZKXSZNHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-26-16-10-11-17(21)18(12-16)23-20(25)14-6-8-15(9-7-14)22-19(24)13-4-2-3-5-13;/h10-15H,2-9,21H2,1H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119421456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).