(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H26N2O2 — CID 9056500

IUPAC(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1C[C@H](C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C19H26N2O2/c1-13-7-6-8-14(2)18(13)21-12-15(11-17(21)22)19(23)20-16-9-4-3-5-10-16/h6-8,15-16H,3-5,9-12H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyJBDFMILPWABJQY-OAHLLOKOSA-N
MW314.43 g/mol
LogP3.11
Rot. Bonds3

About (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9056500) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9056500
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1C[C@H](C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C19H26N2O2/c1-13-7-6-8-14(2)18(13)21-12-15(11-17(21)22)19(23)20-16-9-4-3-5-10-16/h6-8,15-16H,3-5,9-12H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyJBDFMILPWABJQY-OAHLLOKOSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
N-cyclohexyl-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190469
1-(2-chloro-4,6-dimethylphenyl)-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113187915
N-cyclooctyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152206
N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160138
(3S)-N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220443
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
(3S)-1-(3-acetamidophenyl)-N-cyclooctyl-5-oxopyrrolidine-3-carboxamide
CID 92884772
N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189874
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9056500) is (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(C)c1N1C[C@H](C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JBDFMILPWABJQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-7-6-8-14(2)18(13)21-12-15(11-17(21)22)19(23)20-16-9-4-3-5-10-16/h6-8,15-16H,3-5,9-12H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9056500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).