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

C20H30ClN3O3 — CID 119791343

IUPACN-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-26-18-10-9-16(22-20(25)14-7-8-15(21)11-14)12-17(18)23-19(24)13-5-3-2-4-6-13;/h9-10,12-15H,2-8,11,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyDBVZHDPVJCWDOI-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.70
Rot. Bonds5

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

N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119791343) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
PubChem CID119791343
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-26-18-10-9-16(22-20(25)14-7-8-15(21)11-14)12-17(18)23-19(24)13-5-3-2-4-6-13;/h9-10,12-15H,2-8,11,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyDBVZHDPVJCWDOI-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 120501094
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
3-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-methyl-3-oxopropanoic acid
CID 138001716
N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide
CID 119327991

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride (CID 119791343) is N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride is COc1ccc(NC(=O)C2CCC(N)C2)cc1NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is DBVZHDPVJCWDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-26-18-10-9-16(22-20(25)14-7-8-15(21)11-14)12-17(18)23-19(24)13-5-3-2-4-6-13;/h9-10,12-15H,2-8,11,21H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride?
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119791343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).