N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide

C25H27NO4 — CID 7709107

IUPACN-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCCCCOc3ccccc3C)cc2)cc1
InChIInChI=1S/C25H27NO4/c1-19-7-3-4-8-24(19)30-18-6-5-17-29-23-13-9-20(10-14-23)25(27)26-21-11-15-22(28-2)16-12-21/h3-4,7-16H,5-6,17-18H2,1-2H3,(H,26,27)
InChIKeyIJSLGBUZOMMDLJ-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.49
Rot. Bonds10

About N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide

N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide (PubChem CID 7709107) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide
PubChem CID7709107
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCCCCOc3ccccc3C)cc2)cc1
InChIInChI=1S/C25H27NO4/c1-19-7-3-4-8-24(19)30-18-6-5-17-29-23-13-9-20(10-14-23)25(27)26-21-11-15-22(28-2)16-12-21/h3-4,7-16H,5-6,17-18H2,1-2H3,(H,26,27)
InChIKeyIJSLGBUZOMMDLJ-UHFFFAOYSA-N
XLogP5.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[4-(2-methoxyethoxy)phenyl]-2-(2-methylphenoxy)acetamide
CID 17340393
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-methoxyphenoxy)butanoate
CID 19176404
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132
4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68690130

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide (CID 7709107) is N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide is COc1ccc(NC(=O)c2ccc(OCCCCOc3ccccc3C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide?
The InChIKey is IJSLGBUZOMMDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-19-7-3-4-8-24(19)30-18-6-5-17-29-23-13-9-20(10-14-23)25(27)26-21-11-15-22(28-2)16-12-21/h3-4,7-16H,5-6,17-18H2,1-2H3,(H,26,27).
What are the key properties of N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide?
N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide has a molecular weight of 405.49 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[4-(2-methylphenoxy)butoxy]benzamide is sourced from PubChem (CID 7709107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).