N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide

C28H23NO4 — CID 139779423

IUPACN-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H23NO4/c1-32-26-18-23(14-17-25(26)33-19-20-8-4-2-5-9-20)28(31)29-24-15-12-22(13-16-24)27(30)21-10-6-3-7-11-21/h2-18H,19H2,1H3,(H,29,31)
InChIKeyQSCMKDRUJYHADQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.76
Rot. Bonds8

About N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide

N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 139779423) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
PubChem CID139779423
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC NameN-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H23NO4/c1-32-26-18-23(14-17-25(26)33-19-20-8-4-2-5-9-20)28(31)29-24-15-12-22(13-16-24)27(30)21-10-6-3-7-11-21/h2-18H,19H2,1H3,(H,29,31)
InChIKeyQSCMKDRUJYHADQ-UHFFFAOYSA-N
XLogP5.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 139779469
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide
CID 122188015
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779558
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55947038
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
N-[3-(dimethylsulfamoyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 26654034

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide (CID 139779423) is N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is QSCMKDRUJYHADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c1-32-26-18-23(14-17-25(26)33-19-20-8-4-2-5-9-20)28(31)29-24-15-12-22(13-16-24)27(30)21-10-6-3-7-11-21/h2-18H,19H2,1H3,(H,29,31).
What are the key properties of N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide?
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 437.50 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 139779423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).