N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C33H30N4O4 — CID 17154007

IUPACN-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C33H30N4O4/c1-36(21-23-10-4-2-5-11-23)33(41)28-14-8-9-15-29(28)35-31(39)24-16-18-26(19-17-24)34-32(40)25-20-30(38)37(22-25)27-12-6-3-7-13-27/h2-19,25H,20-22H2,1H3,(H,34,40)(H,35,39)
InChIKeyYFSUHHXEFUXVEU-UHFFFAOYSA-N
MW546.63 g/mol
LogP5.20
Rot. Bonds8

About N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17154007) has the molecular formula C33H30N4O4 and a molecular weight of 546.63 g/mol. Its IUPAC name is N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17154007
Molecular FormulaC33H30N4O4
Molecular Weight546.63 g/mol
Exact Mass546.23
IUPAC NameN-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C33H30N4O4/c1-36(21-23-10-4-2-5-11-23)33(41)28-14-8-9-15-29(28)35-31(39)24-16-18-26(19-17-24)34-32(40)25-20-30(38)37(22-25)27-12-6-3-7-13-27/h2-19,25H,20-22H2,1H3,(H,34,40)(H,35,39)
InChIKeyYFSUHHXEFUXVEU-UHFFFAOYSA-N
XLogP5.20
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082255
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
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
5-oxo-N-[4-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 17154021
N-[4-(dipropylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153801
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153813
5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153892
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17154007) is N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YFSUHHXEFUXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O4/c1-36(21-23-10-4-2-5-11-23)33(41)28-14-8-9-15-29(28)35-31(39)24-16-18-26(19-17-24)34-32(40)25-20-30(38)37(22-25)27-12-6-3-7-13-27/h2-19,25H,20-22H2,1H3,(H,34,40)(H,35,39).
What are the key properties of N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 546.63 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17154007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).