1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

C23H26N2O3 — CID 2926817

IUPAC1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C23H26N2O3/c26-22-15-17(16-25(22)19-7-3-1-4-8-19)23(27)24-18-11-13-21(14-12-18)28-20-9-5-2-6-10-20/h2,5-6,9-14,17,19H,1,3-4,7-8,15-16H2,(H,24,27)
InChIKeyLHSXXBNPVWUOJW-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.60
Rot. Bonds5

About 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 2926817) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID2926817
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C23H26N2O3/c26-22-15-17(16-25(22)19-7-3-1-4-8-19)23(27)24-18-11-13-21(14-12-18)28-20-9-5-2-6-10-20/h2,5-6,9-14,17,19H,1,3-4,7-8,15-16H2,(H,24,27)
InChIKeyLHSXXBNPVWUOJW-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (CID 2926817) is 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LHSXXBNPVWUOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22-15-17(16-25(22)19-7-3-1-4-8-19)23(27)24-18-11-13-21(14-12-18)28-20-9-5-2-6-10-20/h2,5-6,9-14,17,19H,1,3-4,7-8,15-16H2,(H,24,27).
What are the key properties of 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2926817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).