1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

C20H31ClN2O3 — CID 119334428

IUPAC1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2(N)CCCCC2)c(OC2CCCC2)c1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-17-10-9-15(18(13-17)25-16-7-3-4-8-16)14-22-19(23)20(21)11-5-2-6-12-20;/h9-10,13,16H,2-8,11-12,14,21H2,1H3,(H,22,23);1H
InChIKeyRFJYWBKQOLFGSE-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.72
Rot. Bonds6

About 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119334428) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119334428
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2(N)CCCCC2)c(OC2CCCC2)c1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-17-10-9-15(18(13-17)25-16-7-3-4-8-16)14-22-19(23)20(21)11-5-2-6-12-20;/h9-10,13,16H,2-8,11-12,14,21H2,1H3,(H,22,23);1H
InChIKeyRFJYWBKQOLFGSE-UHFFFAOYSA-N
XLogP3.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride
CID 119334420
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119142062
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120593283
3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 119952019
1-cyclopentyl-3-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 111963781
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
(E)-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146101068

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119334428) is 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2(N)CCCCC2)c(OC2CCCC2)c1.Cl.
What is the InChIKey of 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is RFJYWBKQOLFGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-24-17-10-9-15(18(13-17)25-16-7-3-4-8-16)14-22-19(23)20(21)11-5-2-6-12-20;/h9-10,13,16H,2-8,11-12,14,21H2,1H3,(H,22,23);1H.
What are the key properties of 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119334428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).