(3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H30N2O2 — CID 801400

IUPAC(3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C21H30N2O2/c1-21(2,3)16-9-11-17(12-10-16)22-20(25)15-13-19(24)23(14-15)18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,22,25)/t15-,16?,17?/m0/s1
InChIKeyUGAXCHNVTWXJLH-GTPINHCMSA-N
MW342.48 g/mol
LogP3.76
Rot. Bonds3

About (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 801400) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID801400
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C21H30N2O2/c1-21(2,3)16-9-11-17(12-10-16)22-20(25)15-13-19(24)23(14-15)18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,22,25)/t15-,16?,17?/m0/s1
InChIKeyUGAXCHNVTWXJLH-GTPINHCMSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 801402
N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide
CID 44764167
(3S)-N-[(2S)-1-(cyclopropylamino)-3-methyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39312213
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229943
methyl 2-[4-(cyclopropylcarbamoyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189115
N-cyclooctyl-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118805
N-cyclopropyl-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 45491488
(3S)-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39350752

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 801400) is (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is UGAXCHNVTWXJLH-GTPINHCMSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-21(2,3)16-9-11-17(12-10-16)22-20(25)15-13-19(24)23(14-15)18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,22,25)/t15-,16?,17?/m0/s1.
What are the key properties of (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 801400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).