(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride

C20H25ClN2O2 — CID 119284749

IUPAC(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H24N2O2.ClH/c21-19(13-15-7-2-1-3-8-15)20(23)22-16-9-6-12-18(14-16)24-17-10-4-5-11-17;/h1-3,6-9,12,14,17,19H,4-5,10-11,13,21H2,(H,22,23);1H/t19-;/m0./s1
InChIKeyADSOGKFFJPIZLG-FYZYNONXSA-N
MW360.89 g/mol
LogP3.94
Rot. Bonds6

About (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119284749) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride
PubChem CID119284749
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H24N2O2.ClH/c21-19(13-15-7-2-1-3-8-15)20(23)22-16-9-6-12-18(14-16)24-17-10-4-5-11-17;/h1-3,6-9,12,14,17,19H,4-5,10-11,13,21H2,(H,22,23);1H/t19-;/m0./s1
InChIKeyADSOGKFFJPIZLG-FYZYNONXSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride (CID 119284749) is (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(OC2CCCC2)c1.
What is the InChIKey of (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is ADSOGKFFJPIZLG-FYZYNONXSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c21-19(13-15-7-2-1-3-8-15)20(23)22-16-9-6-12-18(14-16)24-17-10-4-5-11-17;/h1-3,6-9,12,14,17,19H,4-5,10-11,13,21H2,(H,22,23);1H/t19-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119284749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).