N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide

C31H37N3O2 — CID 70051548

IUPACN-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide
SMILESCOc1ccc(C(C#N)(CCCNC(=O)CNCC(c2ccccc2)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C31H37N3O2/c1-24(2)31(23-32,27-15-17-28(36-3)18-16-27)19-10-20-34-30(35)22-33-21-29(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,24,29,33H,10,19-22H2,1-3H3,(H,34,35)
InChIKeyOLMXPFXOSRPSLT-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.43
Rot. Bonds13

About N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide

N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide (PubChem CID 70051548) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide.

Molecular Properties

Compound NameN-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide
PubChem CID70051548
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC NameN-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide
SMILESCOc1ccc(C(C#N)(CCCNC(=O)CNCC(c2ccccc2)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C31H37N3O2/c1-24(2)31(23-32,27-15-17-28(36-3)18-16-27)19-10-20-34-30(35)22-33-21-29(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,24,29,33H,10,19-22H2,1-3H3,(H,34,35)
InChIKeyOLMXPFXOSRPSLT-UHFFFAOYSA-N
XLogP5.43
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)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-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide?
The IUPAC name of N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide (CID 70051548) is N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide.
What is the SMILES notation for N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide?
The canonical SMILES for N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide is COc1ccc(C(C#N)(CCCNC(=O)CNCC(c2ccccc2)c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide?
The InChIKey is OLMXPFXOSRPSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-24(2)31(23-32,27-15-17-28(36-3)18-16-27)19-10-20-34-30(35)22-33-21-29(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,24,29,33H,10,19-22H2,1-3H3,(H,34,35).
What are the key properties of N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide?
N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide has a molecular weight of 483.66 g/mol, XLogP of 5.43, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-4-(4-methoxyphenyl)-5-methylhexyl]-2-(2,2-diphenylethylamino)acetamide is sourced from PubChem (CID 70051548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).