(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H25N3O3 — CID 92727059

IUPAC(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@@H](C(=O)NCCc3ccc(C)cc3)CC2=O)c1
InChIInChI=1S/C22H25N3O3/c1-15-6-8-17(9-7-15)10-11-23-22(28)18-12-21(27)25(14-18)20-5-3-4-19(13-20)24-16(2)26/h3-9,13,18H,10-12,14H2,1-2H3,(H,23,28)(H,24,26)/t18-/m0/s1
InChIKeyDISRQDWSFPIXDZ-SFHVURJKSA-N
MW379.46 g/mol
LogP2.67
Rot. Bonds6

About (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92727059) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92727059
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@@H](C(=O)NCCc3ccc(C)cc3)CC2=O)c1
InChIInChI=1S/C22H25N3O3/c1-15-6-8-17(9-7-15)10-11-23-22(28)18-12-21(27)25(14-18)20-5-3-4-19(13-20)24-16(2)26/h3-9,13,18H,10-12,14H2,1-2H3,(H,23,28)(H,24,26)/t18-/m0/s1
InChIKeyDISRQDWSFPIXDZ-SFHVURJKSA-N
XLogP2.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727060
(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727160
N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120668
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
1-(3-acetamidophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113189009
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
(3R)-1-(3-acetamidophenyl)-N-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727158
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
1-(3-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50838280

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 92727059) is (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(N2C[C@@H](C(=O)NCCc3ccc(C)cc3)CC2=O)c1.
What is the InChIKey of (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DISRQDWSFPIXDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-6-8-17(9-7-15)10-11-23-22(28)18-12-21(27)25(14-18)20-5-3-4-19(13-20)24-16(2)26/h3-9,13,18H,10-12,14H2,1-2H3,(H,23,28)(H,24,26)/t18-/m0/s1.
What are the key properties of (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92727059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).