N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C19H26N2O2 — CID 4047577

IUPACN-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H26N2O2/c22-18-13-16(19(23)20-17-9-5-2-6-10-17)14-21(18)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,23)
InChIKeyWEPJSPCSENFXGF-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.53
Rot. Bonds5

About N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4047577) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4047577
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H26N2O2/c22-18-13-16(19(23)20-17-9-5-2-6-10-17)14-21(18)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,23)
InChIKeyWEPJSPCSENFXGF-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 4047577) is N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is WEPJSPCSENFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18-13-16(19(23)20-17-9-5-2-6-10-17)14-21(18)12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,23).
What are the key properties of N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4047577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).