2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide

C28H30N2O5 — CID 55759450

IUPAC2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C28H30N2O5/c1-19-10-12-21(13-11-19)18-29-28(33)23-7-4-5-8-24(23)30-27(32)9-6-16-35-25-15-14-22(20(2)31)17-26(25)34-3/h4-5,7-8,10-15,17H,6,9,16,18H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyQTQBOVIIIHZPDR-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.93
Rot. Bonds11

About 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide

2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 55759450) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID55759450
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C28H30N2O5/c1-19-10-12-21(13-11-19)18-29-28(33)23-7-4-5-8-24(23)30-27(32)9-6-16-35-25-15-14-22(20(2)31)17-26(25)34-3/h4-5,7-8,10-15,17H,6,9,16,18H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyQTQBOVIIIHZPDR-UHFFFAOYSA-N
XLogP4.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891404
methyl 3-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-2-hydroxybenzoate
CID 56543338
2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55897755
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34729772
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229
4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
CID 55894328
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide (CID 55759450) is 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide is COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is QTQBOVIIIHZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-19-10-12-21(13-11-19)18-29-28(33)23-7-4-5-8-24(23)30-27(32)9-6-16-35-25-15-14-22(20(2)31)17-26(25)34-3/h4-5,7-8,10-15,17H,6,9,16,18H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide?
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 4.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 55759450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).