N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide

C18H22N2O — CID 3242509

IUPACN-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCC1
InChIInChI=1S/C18H22N2O/c21-18(19-16-6-2-1-3-7-16)14-15-8-10-17(11-9-15)20-12-4-5-13-20/h4-5,8-13,16H,1-3,6-7,14H2,(H,19,21)
InChIKeyZPIYXDOZJIGANS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.47
Rot. Bonds4

About N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide

N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 3242509) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID3242509
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCC1
InChIInChI=1S/C18H22N2O/c21-18(19-16-6-2-1-3-7-16)14-15-8-10-17(11-9-15)20-12-4-5-13-20/h4-5,8-13,16H,1-3,6-7,14H2,(H,19,21)
InChIKeyZPIYXDOZJIGANS-UHFFFAOYSA-N
XLogP3.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide (CID 3242509) is N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is ZPIYXDOZJIGANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(19-16-6-2-1-3-7-16)14-15-8-10-17(11-9-15)20-12-4-5-13-20/h4-5,8-13,16H,1-3,6-7,14H2,(H,19,21).
What are the key properties of N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide?
N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 3242509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).