2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide

C28H34N2O2 — CID 22018525

IUPAC2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESCOc1cc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)ccc1C
InChIInChI=1S/C28H34N2O2/c1-22-15-16-24(20-27(22)32-2)17-19-29-21-25-13-6-7-14-26(25)28(31)30-18-9-8-12-23-10-4-3-5-11-23/h3-7,10-11,13-16,20,29H,8-9,12,17-19,21H2,1-2H3,(H,30,31)
InChIKeyODNXXQHTULILKU-UHFFFAOYSA-N
MW430.59 g/mol
LogP5.09
Rot. Bonds12

About 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide

2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide (PubChem CID 22018525) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
PubChem CID22018525
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESCOc1cc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)ccc1C
InChIInChI=1S/C28H34N2O2/c1-22-15-16-24(20-27(22)32-2)17-19-29-21-25-13-6-7-14-26(25)28(31)30-18-9-8-12-23-10-4-3-5-11-23/h3-7,10-11,13-16,20,29H,8-9,12,17-19,21H2,1-2H3,(H,30,31)
InChIKeyODNXXQHTULILKU-UHFFFAOYSA-N
XLogP5.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544116
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide
CID 23544132
2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544107
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367721
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 90486198
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
2-[[2-(6-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide
CID 23544156
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-[(2-phenylethylamino)methyl]benzoic acid
CID 17157313
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The IUPAC name of 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide (CID 22018525) is 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide is COc1cc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)ccc1C.
What is the InChIKey of 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The InChIKey is ODNXXQHTULILKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-22-15-16-24(20-27(22)32-2)17-19-29-21-25-13-6-7-14-26(25)28(31)30-18-9-8-12-23-10-4-3-5-11-23/h3-7,10-11,13-16,20,29H,8-9,12,17-19,21H2,1-2H3,(H,30,31).
What are the key properties of 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide has a molecular weight of 430.59 g/mol, XLogP of 5.09, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 22018525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).