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

C18H19NO2 — CID 17097596

IUPAC3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO2/c1-13(2)12-21-17-9-7-16(8-10-17)19-18(20)15-6-4-5-14(3)11-15/h4-11H,1,12H2,2-3H3,(H,19,20)
InChIKeyATBKNGDYODCLJR-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.20
Rot. Bonds5

About 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (PubChem CID 17097596) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
PubChem CID17097596
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO2/c1-13(2)12-21-17-9-7-16(8-10-17)19-18(20)15-6-4-5-14(3)11-15/h4-11H,1,12H2,2-3H3,(H,19,20)
InChIKeyATBKNGDYODCLJR-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-(2-methylprop-2-enoxy)-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17133137
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3347368
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
[4-[(3-methylbenzoyl)amino]phenyl] 5-oxohexanoate
CID 9455607
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (CID 17097596) is 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is C=C(C)COc1ccc(NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The InChIKey is ATBKNGDYODCLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(2)12-21-17-9-7-16(8-10-17)19-18(20)15-6-4-5-14(3)11-15/h4-11H,1,12H2,2-3H3,(H,19,20).
What are the key properties of 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide has a molecular weight of 281.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is sourced from PubChem (CID 17097596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).