2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide

C30H29NO3 — CID 16663907

IUPAC2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
SMILESCOc1cccc(-c2ccc(OCc3ccccc3)cc2C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C30H29NO3/c1-33-26-16-8-15-25(20-26)28-18-17-27(34-22-24-12-6-3-7-13-24)21-29(28)30(32)31-19-9-14-23-10-4-2-5-11-23/h2-8,10-13,15-18,20-21H,9,14,19,22H2,1H3,(H,31,32)
InChIKeyFJRKJJXEZSFOFI-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.30
Rot. Bonds10

About 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide

2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide (PubChem CID 16663907) has the molecular formula C30H29NO3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
PubChem CID16663907
Molecular FormulaC30H29NO3
Molecular Weight451.57 g/mol
Exact Mass451.21
IUPAC Name2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
SMILESCOc1cccc(-c2ccc(OCc3ccccc3)cc2C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C30H29NO3/c1-33-26-16-8-15-25(20-26)28-18-17-27(34-22-24-12-6-3-7-13-24)21-29(28)30(32)31-19-9-14-23-10-4-2-5-11-23/h2-8,10-13,15-18,20-21H,9,14,19,22H2,1H3,(H,31,32)
InChIKeyFJRKJJXEZSFOFI-UHFFFAOYSA-N
XLogP6.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-methoxyphenyl)-N-(3-phenylpropyl)benzamide
CID 16664400
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663908
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
CID 110421761
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide (CID 16663907) is 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide is COc1cccc(-c2ccc(OCc3ccccc3)cc2C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide?
The InChIKey is FJRKJJXEZSFOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3/c1-33-26-16-8-15-25(20-26)28-18-17-27(34-22-24-12-6-3-7-13-24)21-29(28)30(32)31-19-9-14-23-10-4-2-5-11-23/h2-8,10-13,15-18,20-21H,9,14,19,22H2,1H3,(H,31,32).
What are the key properties of 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide?
2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide has a molecular weight of 451.57 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 16663907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).