N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide

C20H29N3O2 — CID 120568580

IUPACN-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
SMILESCc1ccc(N)cc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-13-6-9-16(21)12-18(13)23-20(25)15-7-10-17(11-8-15)22-19(24)14-4-2-3-5-14/h6,9,12,14-15,17H,2-5,7-8,10-11,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyCICDBIMCHTYKBE-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.38
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide

N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide (PubChem CID 120568580) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
PubChem CID120568580
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
SMILESCc1ccc(N)cc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-13-6-9-16(21)12-18(13)23-20(25)15-7-10-17(11-8-15)22-19(24)14-4-2-3-5-14/h6,9,12,14-15,17H,2-5,7-8,10-11,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyCICDBIMCHTYKBE-UHFFFAOYSA-N
XLogP3.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide 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-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
N-(2-aminophenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119422541
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 120568574
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117
N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 120568951

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide (CID 120568580) is N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide is Cc1ccc(N)cc1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
The InChIKey is CICDBIMCHTYKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13-6-9-16(21)12-18(13)23-20(25)15-7-10-17(11-8-15)22-19(24)14-4-2-3-5-14/h6,9,12,14-15,17H,2-5,7-8,10-11,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide?
N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 120568580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).