(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide

C26H26N2O3 — CID 93331332

IUPAC(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O)c1ccccc1
InChIInChI=1S/C26H26N2O3/c1-19(21-11-6-3-7-12-21)27-25(29)24-15-16-28(26(24)30)22-13-8-14-23(17-22)31-18-20-9-4-2-5-10-20/h2-14,17,19,24H,15-16,18H2,1H3,(H,27,29)/t19-,24+/m1/s1
InChIKeyFPVKJEHGNYTVBH-DVECYGJZSA-N
MW414.51 g/mol
LogP4.50
Rot. Bonds7

About (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide

(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 93331332) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID93331332
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O)c1ccccc1
InChIInChI=1S/C26H26N2O3/c1-19(21-11-6-3-7-12-21)27-25(29)24-15-16-28(26(24)30)22-13-8-14-23(17-22)31-18-20-9-4-2-5-10-20/h2-14,17,19,24H,15-16,18H2,1H3,(H,27,29)/t19-,24+/m1/s1
InChIKeyFPVKJEHGNYTVBH-DVECYGJZSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(1-phenylethyl)-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 46048961
(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330707
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
1-oxo-N-[(1S)-1-(3-phenylmethoxyphenyl)ethyl]-3,4-dihydro-2H-isoquinoline-4-carboxamide
CID 146153166
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119349115
(3R)-1-(3-bromophenyl)-N-[(1S)-3-(methylamino)-3-oxo-1-phenylpropyl]-2-oxopyrrolidine-3-carboxamide
CID 100647443
(3S)-N-tert-butyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991023
(2R)-2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364643
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
cis-(1S,2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
CID 86595093
2-oxo-1-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 20964223

Frequently Asked Questions

What is the IUPAC name of (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide (CID 93331332) is (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O)c1ccccc1.
What is the InChIKey of (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FPVKJEHGNYTVBH-DVECYGJZSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-19(21-11-6-3-7-12-21)27-25(29)24-15-16-28(26(24)30)22-13-8-14-23(17-22)31-18-20-9-4-2-5-10-20/h2-14,17,19,24H,15-16,18H2,1H3,(H,27,29)/t19-,24+/m1/s1.
What are the key properties of (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93331332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).