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

C22H21NO3 — CID 8880847

IUPAC4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C22H21NO3/c1-3-26-20-14-11-18(15-21(20)25-2)22(24)23-19-12-9-17(10-13-19)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,23,24)
InChIKeyITAQFFIEOYLRDF-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.01
Rot. Bonds6

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

4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide (PubChem CID 8880847) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
PubChem CID8880847
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C22H21NO3/c1-3-26-20-14-11-18(15-21(20)25-2)22(24)23-19-12-9-17(10-13-19)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,23,24)
InChIKeyITAQFFIEOYLRDF-UHFFFAOYSA-N
XLogP5.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
3,4-dimethoxy-N-[4-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]benzamide
CID 23098281
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide (CID 8880847) is 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide?
The InChIKey is ITAQFFIEOYLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-3-26-20-14-11-18(15-21(20)25-2)22(24)23-19-12-9-17(10-13-19)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,23,24).
What are the key properties of 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide?
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide has a molecular weight of 347.41 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 8880847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).