2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide

C22H28N2O4 — CID 21367669

IUPAC2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)15-23-22(26)19-7-4-5-8-20(19)24-21(25)9-6-14-28-18-12-10-17(27-3)11-13-18/h4-5,7-8,10-13,16H,6,9,14-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBUCZOPHZSUEBLU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.88
Rot. Bonds10

About 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide

2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 21367669) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
PubChem CID21367669
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)15-23-22(26)19-7-4-5-8-20(19)24-21(25)9-6-14-28-18-12-10-17(27-3)11-13-18/h4-5,7-8,10-13,16H,6,9,14-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBUCZOPHZSUEBLU-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
CID 21173388
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
2-[[2-(N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145348
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 112808084
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 55318028
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 11111535
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598474
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide (CID 21367669) is 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide is COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is BUCZOPHZSUEBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(2)15-23-22(26)19-7-4-5-8-20(19)24-21(25)9-6-14-28-18-12-10-17(27-3)11-13-18/h4-5,7-8,10-13,16H,6,9,14-15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 21367669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).