2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

C20H23NO5 — CID 131949452

IUPAC2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C20H23NO5/c1-13(2)12-26-15-8-6-14(7-9-15)21-20(22)16-10-18(24-4)19(25-5)11-17(16)23-3/h6-11H,1,12H2,2-5H3,(H,21,22)
InChIKeyASXALLYFIWWNTC-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.92
Rot. Bonds8

About 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (PubChem CID 131949452) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
PubChem CID131949452
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C20H23NO5/c1-13(2)12-26-15-8-6-14(7-9-15)21-20(22)16-10-18(24-4)19(25-5)11-17(16)23-3/h6-11H,1,12H2,2-5H3,(H,21,22)
InChIKeyASXALLYFIWWNTC-UHFFFAOYSA-N
XLogP3.92
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097726
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54814050
3-bromo-4-methoxy-N-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17097766
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (CID 131949452) is 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is C=C(C)COc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The InChIKey is ASXALLYFIWWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-13(2)12-26-15-8-6-14(7-9-15)21-20(22)16-10-18(24-4)19(25-5)11-17(16)23-3/h6-11H,1,12H2,2-5H3,(H,21,22).
What are the key properties of 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is sourced from PubChem (CID 131949452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).