(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C28H29N3O5 — CID 40976965

IUPAC(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2)cc1
InChIInChI=1S/C28H29N3O5/c1-19-3-7-22(8-4-19)30-26(32)18-36-25-13-9-23(10-14-25)31-17-21(15-27(31)33)28(34)29-16-20-5-11-24(35-2)12-6-20/h3-14,21H,15-18H2,1-2H3,(H,29,34)(H,30,32)/t21-/m0/s1
InChIKeyIVTFFEMPFWEIMJ-NRFANRHFSA-N
MW487.56 g/mol
LogP3.69
Rot. Bonds9

About (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40976965) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40976965
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2)cc1
InChIInChI=1S/C28H29N3O5/c1-19-3-7-22(8-4-19)30-26(32)18-36-25-13-9-23(10-14-25)31-17-21(15-27(31)33)28(34)29-16-20-5-11-24(35-2)12-6-20/h3-14,21H,15-18H2,1-2H3,(H,29,34)(H,30,32)/t21-/m0/s1
InChIKeyIVTFFEMPFWEIMJ-NRFANRHFSA-N
XLogP3.69
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-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

(3S)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126159725
(3R)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126160735
(3S)-1-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976967
(3R)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124585167
(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976963
N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 23820935
N-[[4-(butanoylamino)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55781741
(3S)-1-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124582044
(3R)-1-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124582043
(3R)-1-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126162227
(3R)-1-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126140941
(3R)-1-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126142833

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 40976965) is (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2)cc1.
What is the InChIKey of (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IVTFFEMPFWEIMJ-NRFANRHFSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-19-3-7-22(8-4-19)30-26(32)18-36-25-13-9-23(10-14-25)31-17-21(15-27(31)33)28(34)29-16-20-5-11-24(35-2)12-6-20/h3-14,21H,15-18H2,1-2H3,(H,29,34)(H,30,32)/t21-/m0/s1.
What are the key properties of (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40976965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).