2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide

C28H33N3O2 — CID 23544107

IUPAC2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESCC(=O)Nc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C28H33N3O2/c1-22(32)31-26-16-14-24(15-17-26)18-20-29-21-25-12-5-6-13-27(25)28(33)30-19-8-7-11-23-9-3-2-4-10-23/h2-6,9-10,12-17,29H,7-8,11,18-21H2,1H3,(H,30,33)(H,31,32)
InChIKeyAMBSNKJONFNPBV-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.73
Rot. Bonds12

About 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide

2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide (PubChem CID 23544107) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
PubChem CID23544107
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
SMILESCC(=O)Nc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C28H33N3O2/c1-22(32)31-26-16-14-24(15-17-26)18-20-29-21-25-12-5-6-13-27(25)28(33)30-19-8-7-11-23-9-3-2-4-10-23/h2-6,9-10,12-17,29H,7-8,11,18-21H2,1H3,(H,30,33)(H,31,32)
InChIKeyAMBSNKJONFNPBV-UHFFFAOYSA-N
XLogP4.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide
CID 23544132
2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 22018525
2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544116
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
2-[(2-phenylethylamino)methyl]benzoic acid
CID 17157313
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-[[2-(6-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide
CID 23544156
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(4-phenylbut-3-enyl)benzamide
CID 74061424
1-(4-aminophenyl)-3-(4-phenylbutyl)urea
CID 108897090
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 115461449

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The IUPAC name of 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide (CID 23544107) is 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide is CC(=O)Nc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1.
What is the InChIKey of 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
The InChIKey is AMBSNKJONFNPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-22(32)31-26-16-14-24(15-17-26)18-20-29-21-25-12-5-6-13-27(25)28(33)30-19-8-7-11-23-9-3-2-4-10-23/h2-6,9-10,12-17,29H,7-8,11,18-21H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide?
2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide has a molecular weight of 443.59 g/mol, XLogP of 4.73, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 23544107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).