N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride

C19H30ClN3O3 — CID 120501094

IUPACN-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C)C(C)N)cc1NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-12(13(2)20)18(23)21-15-9-10-17(25-3)16(11-15)22-19(24)14-7-5-4-6-8-14;/h9-14H,4-8,20H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyIHMBIEYQUTZHIH-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.56
Rot. Bonds6

About N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride

N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120501094) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
PubChem CID120501094
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C)C(C)N)cc1NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-12(13(2)20)18(23)21-15-9-10-17(25-3)16(11-15)22-19(24)14-7-5-4-6-8-14;/h9-14H,4-8,20H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyIHMBIEYQUTZHIH-UHFFFAOYSA-N
XLogP3.56
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;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-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-methyl-3-oxopropanoic acid
CID 138001716
N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide
CID 119327991
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119791373
N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984318
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride (CID 120501094) is N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride is COc1ccc(NC(=O)C(C)C(C)N)cc1NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is IHMBIEYQUTZHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-12(13(2)20)18(23)21-15-9-10-17(25-3)16(11-15)22-19(24)14-7-5-4-6-8-14;/h9-14H,4-8,20H2,1-3H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride?
N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120501094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).