(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

C24H22N2O4 — CID 40666345

IUPAC(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1
InChIInChI=1S/C24H22N2O4/c1-29-20-13-9-19(10-14-20)26-16-17(15-23(26)27)24(28)25-18-7-11-22(12-8-18)30-21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyXRTUPAUYYZYWKC-KRWDZBQOSA-N
MW402.45 g/mol
LogP4.48
Rot. Bonds6

About (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 40666345) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID40666345
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1
InChIInChI=1S/C24H22N2O4/c1-29-20-13-9-19(10-14-20)26-16-17(15-23(26)27)24(28)25-18-7-11-22(12-8-18)30-21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyXRTUPAUYYZYWKC-KRWDZBQOSA-N
XLogP4.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 22051484
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide
CID 60589148
(3S)-N-(4-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1088212
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (CID 40666345) is (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is XRTUPAUYYZYWKC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-20-13-9-19(10-14-20)26-16-17(15-23(26)27)24(28)25-18-7-11-22(12-8-18)30-21-5-3-2-4-6-21/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 40666345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).