(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C25H24N2O3 — CID 124523029

IUPAC(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O
InChIInChI=1S/C25H24N2O3/c1-18(19-8-4-2-5-9-19)27-17-20(16-24(27)28)25(29)26-21-12-14-23(15-13-21)30-22-10-6-3-7-11-22/h2-15,18,20H,16-17H2,1H3,(H,26,29)/t18-,20-/m1/s1
InChIKeySDMJLNKNFXHQRB-UYAOXDASSA-N
MW400.48 g/mol
LogP5.03
Rot. Bonds6

About (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 124523029) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID124523029
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O
InChIInChI=1S/C25H24N2O3/c1-18(19-8-4-2-5-9-19)27-17-20(16-24(27)28)25(29)26-21-12-14-23(15-13-21)30-22-10-6-3-7-11-22/h2-15,18,20H,16-17H2,1H3,(H,26,29)/t18-,20-/m1/s1
InChIKeySDMJLNKNFXHQRB-UYAOXDASSA-N
XLogP5.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
CID 9004705
(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1260369
ethyl 4-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 84899004
(3S)-N-(3-methylphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004758
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
(3S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41184848
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 9166196
(3S)-N-(4-methyl-3-nitrophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004794
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 124523029) is (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O.
What is the InChIKey of (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is SDMJLNKNFXHQRB-UYAOXDASSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18(19-8-4-2-5-9-19)27-17-20(16-24(27)28)25(29)26-21-12-14-23(15-13-21)30-22-10-6-3-7-11-22/h2-15,18,20H,16-17H2,1H3,(H,26,29)/t18-,20-/m1/s1.
What are the key properties of (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124523029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).