4-methyl-N-(4-prop-2-enoxyphenyl)benzamide

C17H17NO2 — CID 4952484

IUPAC4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO2/c1-3-12-20-16-10-8-15(9-11-16)18-17(19)14-6-4-13(2)5-7-14/h3-11H,1,12H2,2H3,(H,18,19)
InChIKeyVQECLSMCXMLUPN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.81
Rot. Bonds5

About 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide

4-methyl-N-(4-prop-2-enoxyphenyl)benzamide (PubChem CID 4952484) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
PubChem CID4952484
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO2/c1-3-12-20-16-10-8-15(9-11-16)18-17(19)14-6-4-13(2)5-7-14/h3-11H,1,12H2,2H3,(H,18,19)
InChIKeyVQECLSMCXMLUPN-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.81
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

N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
CID 4945159
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide (CID 4952484) is 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide is C=CCOc1ccc(NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide?
The InChIKey is VQECLSMCXMLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-12-20-16-10-8-15(9-11-16)18-17(19)14-6-4-13(2)5-7-14/h3-11H,1,12H2,2H3,(H,18,19).
What are the key properties of 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide?
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide has a molecular weight of 267.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 4952484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).