3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide

C23H23NO3 — CID 126086097

IUPAC3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23NO3/c1-3-26-22-15-19(23(25)24-20-12-9-17(2)10-13-20)11-14-21(22)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyLCSJQJCMROHQEC-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.23
Rot. Bonds7

About 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide

3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide (PubChem CID 126086097) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
PubChem CID126086097
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23NO3/c1-3-26-22-15-19(23(25)24-20-12-9-17(2)10-13-20)11-14-21(22)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyLCSJQJCMROHQEC-UHFFFAOYSA-N
XLogP5.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide
CID 3328427
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
3-ethoxy-4-[(4-methylphenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3450576
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide?
The IUPAC name of 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide (CID 126086097) is 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide?
The InChIKey is LCSJQJCMROHQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-26-22-15-19(23(25)24-20-12-9-17(2)10-13-20)11-14-21(22)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,24,25).
What are the key properties of 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide?
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide has a molecular weight of 361.44 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 126086097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).