4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide

C25H27NO3 — CID 9452358

IUPAC4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C25H27NO3/c1-3-5-17-29-23-16-13-21(18-24(23)28-4-2)25(27)26-22-14-11-20(12-15-22)19-9-7-6-8-10-19/h6-16,18H,3-5,17H2,1-2H3,(H,26,27)
InChIKeyJAMQSCKURHRRPL-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.18
Rot. Bonds9

About 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide

4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide (PubChem CID 9452358) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
PubChem CID9452358
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C25H27NO3/c1-3-5-17-29-23-16-13-21(18-24(23)28-4-2)25(27)26-22-14-11-20(12-15-22)19-9-7-6-8-10-19/h6-16,18H,3-5,17H2,1-2H3,(H,26,27)
InChIKeyJAMQSCKURHRRPL-UHFFFAOYSA-N
XLogP6.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
4-butoxy-N-[6-(dimethylamino)-3-pyridinyl]-3-ethoxybenzamide
CID 30272395
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29197914
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7596485

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide (CID 9452358) is 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC.
What is the InChIKey of 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide?
The InChIKey is JAMQSCKURHRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-3-5-17-29-23-16-13-21(18-24(23)28-4-2)25(27)26-22-14-11-20(12-15-22)19-9-7-6-8-10-19/h6-16,18H,3-5,17H2,1-2H3,(H,26,27).
What are the key properties of 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide?
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 9452358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).