(2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide

C17H23N3O3 — CID 96529890

IUPAC(2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)cc1
InChIInChI=1S/C17H23N3O3/c1-19-11-13(10-16(19)21)18-17(22)20-9-3-4-15(20)12-5-7-14(23-2)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3,(H,18,22)/t13-,15+/m1/s1
InChIKeyKEOYOMVQHRYZBY-HIFRSBDPSA-N
MW317.39 g/mol
LogP1.77
Rot. Bonds3

About (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide

(2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 96529890) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID96529890
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)cc1
InChIInChI=1S/C17H23N3O3/c1-19-11-13(10-16(19)21)18-17(22)20-9-3-4-15(20)12-5-7-14(23-2)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3,(H,18,22)/t13-,15+/m1/s1
InChIKeyKEOYOMVQHRYZBY-HIFRSBDPSA-N
XLogP1.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
3-[[2-(4-methoxyphenyl)azepane-1-carbonyl]amino]propanoic acid
CID 122019457
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 96529890) is (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide is COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is KEOYOMVQHRYZBY-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19-11-13(10-16(19)21)18-17(22)20-9-3-4-15(20)12-5-7-14(23-2)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3,(H,18,22)/t13-,15+/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide?
(2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 96529890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).