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

C27H27N3O5 — CID 40976963

IUPAC(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccccc4)cc3)C2)cc1
InChIInChI=1S/C27H27N3O5/c1-34-23-11-7-19(8-12-23)16-28-27(33)20-15-26(32)30(17-20)22-9-13-24(14-10-22)35-18-25(31)29-21-5-3-2-4-6-21/h2-14,20H,15-18H2,1H3,(H,28,33)(H,29,31)/t20-/m0/s1
InChIKeyMMXVTUNWFXOEKR-FQEVSTJZSA-N
MW473.53 g/mol
LogP3.38
Rot. Bonds9

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

(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40976963) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40976963
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccccc4)cc3)C2)cc1
InChIInChI=1S/C27H27N3O5/c1-34-23-11-7-19(8-12-23)16-28-27(33)20-15-26(32)30(17-20)22-9-13-24(14-10-22)35-18-25(31)29-21-5-3-2-4-6-21/h2-14,20H,15-18H2,1H3,(H,28,33)(H,29,31)/t20-/m0/s1
InChIKeyMMXVTUNWFXOEKR-FQEVSTJZSA-N
XLogP3.38
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124585167
(3R)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126160735
(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40976965
(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-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124579857
N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 23820935
(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
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3S)-N-benzyl-1-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124585638
(3S)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126159725
N-[[4-(butanoylamino)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55781741

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 40976963) is (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccccc4)cc3)C2)cc1.
What is the InChIKey of (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MMXVTUNWFXOEKR-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-34-23-11-7-19(8-12-23)16-28-27(33)20-15-26(32)30(17-20)22-9-13-24(14-10-22)35-18-25(31)29-21-5-3-2-4-6-21/h2-14,20H,15-18H2,1H3,(H,28,33)(H,29,31)/t20-/m0/s1.
What are the key properties of (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40976963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).