2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride

C21H27ClN2O3 — CID 119334420

IUPAC2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C(N)c2ccccc2)c(OC2CCCC2)c1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-25-18-12-11-16(19(13-18)26-17-9-5-6-10-17)14-23-21(24)20(22)15-7-3-2-4-8-15;/h2-4,7-8,11-13,17,20H,5-6,9-10,14,22H2,1H3,(H,23,24);1H
InChIKeyNHMNWOFXAUKEFL-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.75
Rot. Bonds7

About 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride

2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride (PubChem CID 119334420) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride
PubChem CID119334420
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C(N)c2ccccc2)c(OC2CCCC2)c1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-25-18-12-11-16(19(13-18)26-17-9-5-6-10-17)14-23-21(24)20(22)15-7-3-2-4-8-15;/h2-4,7-8,11-13,17,20H,5-6,9-10,14,22H2,1H3,(H,23,24);1H
InChIKeyNHMNWOFXAUKEFL-UHFFFAOYSA-N
XLogP3.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 119952019
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120593283
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
CID 119340201
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119142062
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
N-[2-[[N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111989597
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
2-amino-N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666975

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride (CID 119334420) is 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride is COc1ccc(CNC(=O)C(N)c2ccccc2)c(OC2CCCC2)c1.Cl.
What is the InChIKey of 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride?
The InChIKey is NHMNWOFXAUKEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-25-18-12-11-16(19(13-18)26-17-9-5-6-10-17)14-23-21(24)20(22)15-7-3-2-4-8-15;/h2-4,7-8,11-13,17,20H,5-6,9-10,14,22H2,1H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride?
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119334420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).