1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C25H30N2O3 — CID 46978039

IUPAC1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1-c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C25H30N2O3/c1-2-30-23-15-9-7-13-21(23)20-12-6-8-14-22(20)26-25(29)18-16-24(28)27(17-18)19-10-4-3-5-11-19/h6-9,12-15,18-19H,2-5,10-11,16-17H2,1H3,(H,26,29)
InChIKeyYVIZKXHEJKXKBI-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.87
Rot. Bonds6

About 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46978039) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46978039
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1-c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C25H30N2O3/c1-2-30-23-15-9-7-13-21(23)20-12-6-8-14-22(20)26-25(29)18-16-24(28)27(17-18)19-10-4-3-5-11-19/h6-9,12-15,18-19H,2-5,10-11,16-17H2,1H3,(H,26,29)
InChIKeyYVIZKXHEJKXKBI-UHFFFAOYSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 2856288
N-[2-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 24514336
(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40974407
1-cyclohexyl-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17312324
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46978039) is 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1-c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YVIZKXHEJKXKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-2-30-23-15-9-7-13-21(23)20-12-6-8-14-22(20)26-25(29)18-16-24(28)27(17-18)19-10-4-3-5-11-19/h6-9,12-15,18-19H,2-5,10-11,16-17H2,1H3,(H,26,29).
What are the key properties of 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46978039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).