5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide

C27H27N3O3 — CID 17153892

IUPAC5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c(C)c1
InChIInChI=1S/C27H27N3O3/c1-17-13-18(2)25(19(3)14-17)29-26(32)20-9-11-22(12-10-20)28-27(33)21-15-24(31)30(16-21)23-7-5-4-6-8-23/h4-14,21H,15-16H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyDSHUAYTYNUQCAS-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.86
Rot. Bonds5

About 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide

5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 17153892) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID17153892
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c(C)c1
InChIInChI=1S/C27H27N3O3/c1-17-13-18(2)25(19(3)14-17)29-26(32)20-9-11-22(12-10-20)28-27(33)21-15-24(31)30(16-21)23-7-5-4-6-8-23/h4-14,21H,15-16H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyDSHUAYTYNUQCAS-UHFFFAOYSA-N
XLogP4.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153911
(3R)-N-(4-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058194
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153830
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058167
N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844327
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003
(3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005184
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide (CID 17153892) is 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c(C)c1.
What is the InChIKey of 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is DSHUAYTYNUQCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-17-13-18(2)25(19(3)14-17)29-26(32)20-9-11-22(12-10-20)28-27(33)21-15-24(31)30(16-21)23-7-5-4-6-8-23/h4-14,21H,15-16H2,1-3H3,(H,28,33)(H,29,32).
What are the key properties of 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17153892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).