(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119273007

IUPAC(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1C(C)NC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-6-7-14(19-3)12(9-10)11(2)17-15(18)13-5-4-8-16-13;/h6-7,9,11,13,16H,4-5,8H2,1-3H3,(H,17,18);1H/t11?,13-;/m0./s1
InChIKeyARYGWPVYWZZEPJ-IYWIJXFJSA-N
MW298.81 g/mol
LogP2.35
Rot. Bonds4

About (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119273007) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119273007
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1C(C)NC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-6-7-14(19-3)12(9-10)11(2)17-15(18)13-5-4-8-16-13;/h6-7,9,11,13,16H,4-5,8H2,1-3H3,(H,17,18);1H/t11?,13-;/m0./s1
InChIKeyARYGWPVYWZZEPJ-IYWIJXFJSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61180295
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015
4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43703463
(2R)-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 103808925
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119273007) is (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(C)cc1C(C)NC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ARYGWPVYWZZEPJ-IYWIJXFJSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-10-6-7-14(19-3)12(9-10)11(2)17-15(18)13-5-4-8-16-13;/h6-7,9,11,13,16H,4-5,8H2,1-3H3,(H,17,18);1H/t11?,13-;/m0./s1.
What are the key properties of (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119273007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).