4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide

C34H33N3O4 — CID 23933335

IUPAC4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(C(=O)C2C(c3ccccc3)C(C(N)=O)N(C(=O)Nc3ccc(C)cc3)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C34H33N3O4/c1-21-9-13-24(14-10-21)30-29(32(38)25-15-19-27(41-3)20-16-25)28(23-7-5-4-6-8-23)31(33(35)39)37(30)34(40)36-26-17-11-22(2)12-18-26/h4-20,28-31H,1-3H3,(H2,35,39)(H,36,40)
InChIKeyVWWYGJXZJYUNQB-UHFFFAOYSA-N
MW547.66 g/mol
LogP6.04
Rot. Bonds7

About 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide

4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 23933335) has the molecular formula C34H33N3O4 and a molecular weight of 547.66 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID23933335
Molecular FormulaC34H33N3O4
Molecular Weight547.66 g/mol
Exact Mass547.25
IUPAC Name4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(C(=O)C2C(c3ccccc3)C(C(N)=O)N(C(=O)Nc3ccc(C)cc3)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C34H33N3O4/c1-21-9-13-24(14-10-21)30-29(32(38)25-15-19-27(41-3)20-16-25)28(23-7-5-4-6-8-23)31(33(35)39)37(30)34(40)36-26-17-11-22(2)12-18-26/h4-20,28-31H,1-3H3,(H2,35,39)(H,36,40)
InChIKeyVWWYGJXZJYUNQB-UHFFFAOYSA-N
XLogP6.04
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylbenzoyl)-1-N-(4-methylphenyl)-5-phenyl-3-thiophen-2-ylpyrrolidine-1,2-dicarboxamide
CID 23885391
1-benzoyl-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23903316
4-(4-methoxybenzoyl)-N-(4-methylphenyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-thiophen-2-ylpyrrolidine-1-carboxamide
CID 23741857
4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23822271
4-(4-methylbenzoyl)-1-[(4-methylphenyl)carbamoyl]-5-phenyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 23913032
1-[(4-fluorophenyl)carbamoyl]-4-(4-methylbenzoyl)-5-phenyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 23826365
4-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-2-methyl-5-(4-methylphenyl)-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23828205
4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-2-methyl-1-[(4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23912786
4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 23992015
4-(4-cyanobenzoyl)-5-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23941301
4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23932091
5-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 23794881

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide (CID 23933335) is 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide is COc1ccc(C(=O)C2C(c3ccccc3)C(C(N)=O)N(C(=O)Nc3ccc(C)cc3)C2c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is VWWYGJXZJYUNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O4/c1-21-9-13-24(14-10-21)30-29(32(38)25-15-19-27(41-3)20-16-25)28(23-7-5-4-6-8-23)31(33(35)39)37(30)34(40)36-26-17-11-22(2)12-18-26/h4-20,28-31H,1-3H3,(H2,35,39)(H,36,40).
What are the key properties of 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide?
4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 547.66 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 23933335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).