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

C28H29N3O5 — CID 23820935

IUPACN-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2)cc1
InChIInChI=1S/C28H29N3O5/c1-19-4-3-5-22(14-19)30-26(32)18-36-25-12-8-23(9-13-25)31-17-21(15-27(31)33)28(34)29-16-20-6-10-24(35-2)11-7-20/h3-14,21H,15-18H2,1-2H3,(H,29,34)(H,30,32)
InChIKeyRQFFYRRPQDDQFN-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.69
Rot. Bonds9

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

N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 23820935) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID23820935
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2)cc1
InChIInChI=1S/C28H29N3O5/c1-19-4-3-5-22(14-19)30-26(32)18-36-25-12-8-23(9-13-25)31-17-21(15-27(31)33)28(34)29-16-20-6-10-24(35-2)11-7-20/h3-14,21H,15-18H2,1-2H3,(H,29,34)(H,30,32)
InChIKeyRQFFYRRPQDDQFN-UHFFFAOYSA-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

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Related Compounds

(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976963
(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40976965
(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)-1-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976967
(3R)-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 8007901
(3S)-N-benzyl-1-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124585638
(3R)-1-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126162227
(3S)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126159725
(3R)-1-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126140941
(3R)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124579857
(3S)-1-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126141518

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 23820935) is N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RQFFYRRPQDDQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-19-4-3-5-22(14-19)30-26(32)18-36-25-12-8-23(9-13-25)31-17-21(15-27(31)33)28(34)29-16-20-6-10-24(35-2)11-7-20/h3-14,21H,15-18H2,1-2H3,(H,29,34)(H,30,32).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-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 N-[(4-methoxyphenyl)methyl]-1-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 23820935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).