N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H26N2O2 — CID 2850553

IUPACN-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NC3CCCCC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-2-14-8-10-17(11-9-14)21-13-15(12-18(21)22)19(23)20-16-6-4-3-5-7-16/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23)
InChIKeyLRKFCHGJZORVFA-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.05
Rot. Bonds4

About N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2850553) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2850553
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NC3CCCCC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-2-14-8-10-17(11-9-14)21-13-15(12-18(21)22)19(23)20-16-6-4-3-5-7-16/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23)
InChIKeyLRKFCHGJZORVFA-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
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
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
N-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558971
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2850553) is N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NC3CCCCC3)CC2=O)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LRKFCHGJZORVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-14-8-10-17(11-9-14)21-13-15(12-18(21)22)19(23)20-16-6-4-3-5-7-16/h8-11,15-16H,2-7,12-13H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2850553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).