(2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide

C18H25N3O3 — CID 125146530

IUPAC(2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)N(C)[C@H]3CCNC3)CC(=O)N2C)cc1
InChIInChI=1S/C18H25N3O3/c1-20(13-8-9-19-11-13)18(23)15-10-16(22)21(2)17(15)12-4-6-14(24-3)7-5-12/h4-7,13,15,17,19H,8-11H2,1-3H3/t13-,15-,17+/m0/s1
InChIKeyLEIWVZIAOXHTAE-JLJPHGGASA-N
MW331.42 g/mol
LogP1.03
Rot. Bonds4

About (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide

(2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 125146530) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
PubChem CID125146530
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)N(C)[C@H]3CCNC3)CC(=O)N2C)cc1
InChIInChI=1S/C18H25N3O3/c1-20(13-8-9-19-11-13)18(23)15-10-16(22)21(2)17(15)12-4-6-14(24-3)7-5-12/h4-7,13,15,17,19H,8-11H2,1-3H3/t13-,15-,17+/m0/s1
InChIKeyLEIWVZIAOXHTAE-JLJPHGGASA-N
XLogP1.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 125146529
1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119554715
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119554487
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 120947049
(2S,3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 124874295
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550046
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362478
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119464682
1-butyl-2-(4-methoxyphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120555251
4-methoxy-N-[3-methyl-1-[methyl(pyrrolidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 119551898
1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134005728

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide (CID 125146530) is (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide is COc1ccc([C@@H]2[C@@H](C(=O)N(C)[C@H]3CCNC3)CC(=O)N2C)cc1.
What is the InChIKey of (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is LEIWVZIAOXHTAE-JLJPHGGASA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(13-8-9-19-11-13)18(23)15-10-16(22)21(2)17(15)12-4-6-14(24-3)7-5-12/h4-7,13,15,17,19H,8-11H2,1-3H3/t13-,15-,17+/m0/s1.
What are the key properties of (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
(2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 125146530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).