(2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

C24H29N3O3 — CID 92729955

IUPAC(2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-4-15-25-23(29)21-6-5-16-27(21)24(30)19-11-13-20(14-12-19)26-22(28)18-9-7-17(2)8-10-18/h7-14,21H,3-6,15-16H2,1-2H3,(H,25,29)(H,26,28)/t21-/m1/s1
InChIKeyNYKOPBCZDVETNK-OAQYLSRUSA-N
MW407.51 g/mol
LogP3.77
Rot. Bonds7

About (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

(2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 92729955) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID92729955
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-3-4-15-25-23(29)21-6-5-16-27(21)24(30)19-11-13-20(14-12-19)26-22(28)18-9-7-17(2)8-10-18/h7-14,21H,3-6,15-16H2,1-2H3,(H,25,29)(H,26,28)/t21-/m1/s1
InChIKeyNYKOPBCZDVETNK-OAQYLSRUSA-N
XLogP3.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2R)-N-butyl-1-[4-[(4-chlorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729977
(2S)-N-butyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 92729966
N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide
CID 50831051
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
(2R)-1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729847
1-[4-[(4-methoxybenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50829987
1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 50829892
N-butyl-1-[4-[(4-chlorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50831007
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46388282
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide (CID 92729955) is (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide is CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is NYKOPBCZDVETNK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-4-15-25-23(29)21-6-5-16-27(21)24(30)19-11-13-20(14-12-19)26-22(28)18-9-7-17(2)8-10-18/h7-14,21H,3-6,15-16H2,1-2H3,(H,25,29)(H,26,28)/t21-/m1/s1.
What are the key properties of (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
(2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92729955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).