(2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide

C25H36N2O3 — CID 67619742

IUPAC(2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCCCCC1CCC(C(=O)CN2CCC[C@@H]2C(=O)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C25H36N2O3/c1-2-3-5-9-19-13-15-20(16-14-19)23(28)18-27-17-8-12-22(27)25(30)26-24(29)21-10-6-4-7-11-21/h4,6-7,10-11,19-20,22H,2-3,5,8-9,12-18H2,1H3,(H,26,29,30)/t19?,20?,22-/m1/s1
InChIKeyQCTCCYTZPLESFZ-QETWGEEDSA-N
MW412.57 g/mol
LogP4.36
Rot. Bonds9

About (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide

(2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 67619742) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID67619742
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name(2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCCCCC1CCC(C(=O)CN2CCC[C@@H]2C(=O)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C25H36N2O3/c1-2-3-5-9-19-13-15-20(16-14-19)23(28)18-27-17-8-12-22(27)25(30)26-24(29)21-10-6-4-7-11-21/h4,6-7,10-11,19-20,22H,2-3,5,8-9,12-18H2,1H3,(H,26,29,30)/t19?,20?,22-/m1/s1
InChIKeyQCTCCYTZPLESFZ-QETWGEEDSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-benzoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 22878906
(2R)-N-benzoyl-1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620122
(2S)-N-benzoyl-1-[(4E,6E)-2,3-dioxoocta-4,6-dienyl]pyrrolidine-2-carboxamide
CID 22878875
(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620978
(2-morpholin-4-yl-1-phenylethyl) 2-[(2S)-2-(benzoylcarbamoyl)pyrrolidin-1-yl]acetate
CID 22878877
(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 22878879
(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67619747
(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide
CID 139629640
4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide
CID 3093891
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
(2S)-N-(4-benzamidocyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
CID 51071438
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
CID 19207017

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide (CID 67619742) is (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide is CCCCCC1CCC(C(=O)CN2CCC[C@@H]2C(=O)NC(=O)c2ccccc2)CC1.
What is the InChIKey of (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is QCTCCYTZPLESFZ-QETWGEEDSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-2-3-5-9-19-13-15-20(16-14-19)23(28)18-27-17-8-12-22(27)25(30)26-24(29)21-10-6-4-7-11-21/h4,6-7,10-11,19-20,22H,2-3,5,8-9,12-18H2,1H3,(H,26,29,30)/t19?,20?,22-/m1/s1.
What are the key properties of (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 412.57 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67619742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).