(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide

C15H22N2O2 — CID 94143800

IUPAC(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)NC(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-11(2)16-15(18)17-10-4-5-14(17)12-6-8-13(19-3)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyLHKUMVKUGDOCGB-AWEZNQCLSA-N
MW262.35 g/mol
LogP2.95
Rot. Bonds3

About (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide

(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 94143800) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID94143800
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)NC(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-11(2)16-15(18)17-10-4-5-14(17)12-6-8-13(19-3)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyLHKUMVKUGDOCGB-AWEZNQCLSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94102282
(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124872162
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
CID 55799582
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121994
(2R)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121992
(2R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121993
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 56796210

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 94143800) is (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide is COc1ccc([C@@H]2CCCN2C(=O)NC(C)C)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is LHKUMVKUGDOCGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)16-15(18)17-10-4-5-14(17)12-6-8-13(19-3)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94143800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).