4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid

C30H32N2O6 — CID 23822271

IUPAC4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCNC(=O)N1C(C(=O)O)C(c2ccccc2)C(C(=O)c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C30H32N2O6/c1-4-18-31-30(36)32-26(20-10-14-22(37-2)15-11-20)25(28(33)21-12-16-23(38-3)17-13-21)24(27(32)29(34)35)19-8-6-5-7-9-19/h5-17,24-27H,4,18H2,1-3H3,(H,31,36)(H,34,35)
InChIKeyLONHYSMDUIJCKA-UHFFFAOYSA-N
MW516.59 g/mol
LogP4.92
Rot. Bonds9

About 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid

4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 23822271) has the molecular formula C30H32N2O6 and a molecular weight of 516.59 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID23822271
Molecular FormulaC30H32N2O6
Molecular Weight516.59 g/mol
Exact Mass516.23
IUPAC Name4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCNC(=O)N1C(C(=O)O)C(c2ccccc2)C(C(=O)c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C30H32N2O6/c1-4-18-31-30(36)32-26(20-10-14-22(37-2)15-11-20)25(28(33)21-12-16-23(38-3)17-13-21)24(27(32)29(34)35)19-8-6-5-7-9-19/h5-17,24-27H,4,18H2,1-3H3,(H,31,36)(H,34,35)
InChIKeyLONHYSMDUIJCKA-UHFFFAOYSA-N
XLogP4.92
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.59
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23932091
1-benzoyl-4-(4-methoxybenzoyl)-5-(4-methylphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23903316
4-(4-methoxybenzoyl)-3,5-bis(4-methoxyphenyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 23965209
4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide
CID 23933335
4-methoxycarbonyl-5-(4-methoxyphenyl)-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23763717
methyl 2-[(4-fluorophenyl)methylcarbamoyl]-4-(4-methoxybenzoyl)-5-(4-methoxy-3-nitrophenyl)-3-phenylpyrrolidine-1-carboxylate
CID 23798574
4-benzoyl-5-(4-cyanophenyl)-3-phenyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23823828
4-(4-cyanobenzoyl)-5-(4-cyanophenyl)-3-(3,4-dimethoxyphenyl)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23941301
(4-methoxyphenyl)-[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]methanone
CID 6562474
5-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 23913249
methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
CID 23905057
4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 23992015

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 23822271) is 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid is CCCNC(=O)N1C(C(=O)O)C(c2ccccc2)C(C(=O)c2ccc(OC)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LONHYSMDUIJCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O6/c1-4-18-31-30(36)32-26(20-10-14-22(37-2)15-11-20)25(28(33)21-12-16-23(38-3)17-13-21)24(27(32)29(34)35)19-8-6-5-7-9-19/h5-17,24-27H,4,18H2,1-3H3,(H,31,36)(H,34,35).
What are the key properties of 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 516.59 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23822271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).