4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

C18H19NO3 — CID 17097607

IUPAC4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13(2)12-22-17-10-6-15(7-11-17)19-18(20)14-4-8-16(21-3)9-5-14/h4-11H,1,12H2,2-3H3,(H,19,20)
InChIKeyCEFRKDXRZHGGTO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.90
Rot. Bonds6

About 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (PubChem CID 17097607) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
PubChem CID17097607
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13(2)12-22-17-10-6-15(7-11-17)19-18(20)14-4-8-16(21-3)9-5-14/h4-11H,1,12H2,2-3H3,(H,19,20)
InChIKeyCEFRKDXRZHGGTO-UHFFFAOYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide
CID 17123754
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 131949452
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (CID 17097607) is 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is C=C(C)COc1ccc(NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The InChIKey is CEFRKDXRZHGGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(2)12-22-17-10-6-15(7-11-17)19-18(20)14-4-8-16(21-3)9-5-14/h4-11H,1,12H2,2-3H3,(H,19,20).
What are the key properties of 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is sourced from PubChem (CID 17097607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).