N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H28N2O2 — CID 113186367

IUPACN-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C20H28N2O2/c1-3-15-9-7-8-14(2)19(15)22-13-16(12-18(22)23)20(24)21-17-10-5-4-6-11-17/h7-9,16-17H,3-6,10-13H2,1-2H3,(H,21,24)
InChIKeyGTKYVAVGZOMYFS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.36
Rot. Bonds4

About N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113186367) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113186367
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C20H28N2O2/c1-3-15-9-7-8-14(2)19(15)22-13-16(12-18(22)23)20(24)21-17-10-5-4-6-11-17/h7-9,16-17H,3-6,10-13H2,1-2H3,(H,21,24)
InChIKeyGTKYVAVGZOMYFS-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056500
N-cyclohexyl-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190469
4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
trans-(1S,2R)-2-[[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755851
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55866339

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113186367) is N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(C)c1N1CC(C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GTKYVAVGZOMYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-15-9-7-8-14(2)19(15)22-13-16(12-18(22)23)20(24)21-17-10-5-4-6-11-17/h7-9,16-17H,3-6,10-13H2,1-2H3,(H,21,24).
What are the key properties of N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113186367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).