N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide

C26H30N2O — CID 71584413

IUPACN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30N2O/c1-4-27(5-2)24-17-13-23(14-18-24)20-28(25-15-11-21(3)12-16-25)26(29)19-22-9-7-6-8-10-22/h6-18H,4-5,19-20H2,1-3H3
InChIKeyYJWAFGIHWKDOSR-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.62
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide

N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 71584413) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID71584413
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30N2O/c1-4-27(5-2)24-17-13-23(14-18-24)20-28(25-15-11-21(3)12-16-25)26(29)19-22-9-7-6-8-10-22/h6-18H,4-5,19-20H2,1-3H3
InChIKeyYJWAFGIHWKDOSR-UHFFFAOYSA-N
XLogP5.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide 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-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide (CID 71584413) is N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide is CCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is YJWAFGIHWKDOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-4-27(5-2)24-17-13-23(14-18-24)20-28(25-15-11-21(3)12-16-25)26(29)19-22-9-7-6-8-10-22/h6-18H,4-5,19-20H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide?
N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 386.54 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 71584413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).