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

C19H26N2O3 — CID 2926591

IUPAC1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1
InChIInChI=1S/C19H26N2O3/c1-2-24-17-10-8-15(9-11-17)20-19(23)14-12-18(22)21(13-14)16-6-4-3-5-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,20,23)
InChIKeyRUIKBMQCTTVZBY-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.20
Rot. Bonds5

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

1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2926591) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2926591
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1
InChIInChI=1S/C19H26N2O3/c1-2-24-17-10-8-15(9-11-17)20-19(23)14-12-18(22)21(13-14)16-6-4-3-5-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,20,23)
InChIKeyRUIKBMQCTTVZBY-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2926591) is 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1.
What is the InChIKey of 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RUIKBMQCTTVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-24-17-10-8-15(9-11-17)20-19(23)14-12-18(22)21(13-14)16-6-4-3-5-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,20,23).
What are the key properties of 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2926591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).