3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide

C29H27NO5 — CID 139779676

IUPAC3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C29H27NO5/c1-32-26-17-23(18-27(33-2)28(26)35-20-22-11-7-4-8-12-22)29(31)30-24-13-15-25(16-14-24)34-19-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3,(H,30,31)
InChIKeyUTDYPJPQKPNKGI-UHFFFAOYSA-N
MW469.54 g/mol
LogP6.11
Rot. Bonds10

About 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide

3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 139779676) has the molecular formula C29H27NO5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID139779676
Molecular FormulaC29H27NO5
Molecular Weight469.54 g/mol
Exact Mass469.19
IUPAC Name3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C29H27NO5/c1-32-26-17-23(18-27(33-2)28(26)35-20-22-11-7-4-8-12-22)29(31)30-24-13-15-25(16-14-24)34-19-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3,(H,30,31)
InChIKeyUTDYPJPQKPNKGI-UHFFFAOYSA-N
XLogP6.11
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121031
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
2-(2,6-dimethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 7612423
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27446104
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide (CID 139779676) is 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide is COc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is UTDYPJPQKPNKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO5/c1-32-26-17-23(18-27(33-2)28(26)35-20-22-11-7-4-8-12-22)29(31)30-24-13-15-25(16-14-24)34-19-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3,(H,30,31).
What are the key properties of 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide?
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 469.54 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 139779676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).