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

C23H25N3O3 — CID 92729944

IUPAC(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-5-2-3-6-19(15)21(27)24-17-10-8-16(9-11-17)23(29)26-14-4-7-20(26)22(28)25-18-12-13-18/h2-3,5-6,8-11,18,20H,4,7,12-14H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyJVUKKTSLMOMTFE-HXUWFJFHSA-N
MW391.47 g/mol
LogP3.13
Rot. Bonds5

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

(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 92729944) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID92729944
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-5-2-3-6-19(15)21(27)24-17-10-8-16(9-11-17)23(29)26-14-4-7-20(26)22(28)25-18-12-13-18/h2-3,5-6,8-11,18,20H,4,7,12-14H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyJVUKKTSLMOMTFE-HXUWFJFHSA-N
XLogP3.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830965
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639
1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 132900807

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide (CID 92729944) is (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is JVUKKTSLMOMTFE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-5-2-3-6-19(15)21(27)24-17-10-8-16(9-11-17)23(29)26-14-4-7-20(26)22(28)25-18-12-13-18/h2-3,5-6,8-11,18,20H,4,7,12-14H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92729944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).