N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide

C29H25NO3 — CID 139779469

IUPACN-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESC=Cc1ccccc1-c1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C29H25NO3/c1-3-22-11-7-8-12-26(22)23-13-16-25(17-14-23)30-29(31)24-15-18-27(28(19-24)32-2)33-20-21-9-5-4-6-10-21/h3-19H,1,20H2,2H3,(H,30,31)
InChIKeyIPYWCKSNQUJVGG-UHFFFAOYSA-N
MW435.52 g/mol
LogP6.84
Rot. Bonds8

About N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide

N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 139779469) has the molecular formula C29H25NO3 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
PubChem CID139779469
Molecular FormulaC29H25NO3
Molecular Weight435.52 g/mol
Exact Mass435.18
IUPAC NameN-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESC=Cc1ccccc1-c1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C29H25NO3/c1-3-22-11-7-8-12-26(22)23-13-16-25(17-14-23)30-29(31)24-15-18-27(28(19-24)32-2)33-20-21-9-5-4-6-10-21/h3-19H,1,20H2,2H3,(H,30,31)
InChIKeyIPYWCKSNQUJVGG-UHFFFAOYSA-N
XLogP6.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide
CID 122188015
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55947038
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide (CID 139779469) is N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide is C=Cc1ccccc1-c1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is IPYWCKSNQUJVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3/c1-3-22-11-7-8-12-26(22)23-13-16-25(17-14-23)30-29(31)24-15-18-27(28(19-24)32-2)33-20-21-9-5-4-6-10-21/h3-19H,1,20H2,2H3,(H,30,31).
What are the key properties of N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide?
N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 435.52 g/mol, XLogP of 6.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 139779469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).