(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

C26H31N3O3 — CID 92728157

IUPAC(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H31N3O3/c1-18-9-5-6-14-22(18)24(30)28-21-13-7-10-19(17-21)26(32)29-16-8-15-23(29)25(31)27-20-11-3-2-4-12-20/h5-7,9-10,13-14,17,20,23H,2-4,8,11-12,15-16H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKeyUPEQGYJWZGEHQU-HSZRJFAPSA-N
MW433.55 g/mol
LogP4.30
Rot. Bonds5

About (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 92728157) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID92728157
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H31N3O3/c1-18-9-5-6-14-22(18)24(30)28-21-13-7-10-19(17-21)26(32)29-16-8-15-23(29)25(31)27-20-11-3-2-4-12-20/h5-7,9-10,13-14,17,20,23H,2-4,8,11-12,15-16H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKeyUPEQGYJWZGEHQU-HSZRJFAPSA-N
XLogP4.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 132900807
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729944
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034
(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 92895030
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 86982588
1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243505
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 110305765
N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 50815967

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide (CID 92728157) is (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide is Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NC2CCCCC2)c1.
What is the InChIKey of (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is UPEQGYJWZGEHQU-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18-9-5-6-14-22(18)24(30)28-21-13-7-10-19(17-21)26(32)29-16-8-15-23(29)25(31)27-20-11-3-2-4-12-20/h5-7,9-10,13-14,17,20,23H,2-4,8,11-12,15-16H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide?
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92728157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).