4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide

C28H32ClN3O — CID 90645059

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide
SMILESCN(CCC=C(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33)
InChIKeyFYSUGESXRLOXAS-UHFFFAOYSA-N
MW462.04 g/mol
LogP5.13
Rot. Bonds11

About 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide

4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide (PubChem CID 90645059) has the molecular formula C28H32ClN3O and a molecular weight of 462.04 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide
PubChem CID90645059
Molecular FormulaC28H32ClN3O
Molecular Weight462.04 g/mol
Exact Mass461.22
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide
SMILESCN(CCC=C(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33)
InChIKeyFYSUGESXRLOXAS-UHFFFAOYSA-N
XLogP5.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.04
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide 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 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide (CID 90645059) is 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide is CN(CCC=C(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide?
The InChIKey is FYSUGESXRLOXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33).
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide?
4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide has a molecular weight of 462.04 g/mol, XLogP of 5.13, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-2-[4,4-diphenylbut-3-enyl(methyl)amino]butanamide is sourced from PubChem (CID 90645059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).