(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C26H25N3O3 — CID 95058207

IUPAC(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cccc(C)c4)CC3=O)c2)cc1
InChIInChI=1S/C26H25N3O3/c1-17-9-11-21(12-10-17)27-25(31)19-6-4-8-23(14-19)29-16-20(15-24(29)30)26(32)28-22-7-3-5-18(2)13-22/h3-14,20H,15-16H2,1-2H3,(H,27,31)(H,28,32)/t20-/m0/s1
InChIKeyACZJUTRWWTXTAT-FQEVSTJZSA-N
MW427.50 g/mol
LogP4.55
Rot. Bonds5

About (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95058207) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95058207
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cccc(C)c4)CC3=O)c2)cc1
InChIInChI=1S/C26H25N3O3/c1-17-9-11-21(12-10-17)27-25(31)19-6-4-8-23(14-19)29-16-20(15-24(29)30)26(32)28-22-7-3-5-18(2)13-22/h3-14,20H,15-16H2,1-2H3,(H,27,31)(H,28,32)/t20-/m0/s1
InChIKeyACZJUTRWWTXTAT-FQEVSTJZSA-N
XLogP4.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058194
N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844489
N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844327
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058167
N-(2,3-dimethylphenyl)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844748
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
(3R)-N-(2,3-dimethylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058180
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844713
(3S)-N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058153
(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92900169
3-[(4R)-4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]-N-(4-methylphenyl)benzamide
CID 95058184

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 95058207) is (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cccc(C)c4)CC3=O)c2)cc1.
What is the InChIKey of (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ACZJUTRWWTXTAT-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17-9-11-21(12-10-17)27-25(31)19-6-4-8-23(14-19)29-16-20(15-24(29)30)26(32)28-22-7-3-5-18(2)13-22/h3-14,20H,15-16H2,1-2H3,(H,27,31)(H,28,32)/t20-/m0/s1.
What are the key properties of (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95058207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).