N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide

C18H19NO2 — CID 4778952

IUPACN-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19NO2/c1-4-11-21-17-9-6-15(7-10-17)18(20)19-16-8-5-13(2)14(3)12-16/h4-10,12H,1,11H2,2-3H3,(H,19,20)
InChIKeyRQYOKXMCBXLDFV-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.12
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide

N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide (PubChem CID 4778952) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
PubChem CID4778952
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19NO2/c1-4-11-21-17-9-6-15(7-10-17)18(20)19-16-8-5-13(2)14(3)12-16/h4-10,12H,1,11H2,2-3H3,(H,19,20)
InChIKeyRQYOKXMCBXLDFV-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
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-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
CID 53285181
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 132650382
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide (CID 4778952) is N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide?
The InChIKey is RQYOKXMCBXLDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-4-11-21-17-9-6-15(7-10-17)18(20)19-16-8-5-13(2)14(3)12-16/h4-10,12H,1,11H2,2-3H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide?
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide has a molecular weight of 281.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4778952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).