N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide

C18H19NO2 — CID 2231510

IUPACN-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
SMILESC=CCOc1cccc(C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H19NO2/c1-4-11-21-16-10-6-9-15(12-16)18(20)19-17-13(2)7-5-8-14(17)3/h4-10,12H,1,11H2,2-3H3,(H,19,20)
InChIKeyKIFMFNKIVUUDFT-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.12
Rot. Bonds5

About N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide

N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide (PubChem CID 2231510) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
PubChem CID2231510
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
SMILESC=CCOc1cccc(C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H19NO2/c1-4-11-21-16-10-6-9-15(12-16)18(20)19-17-13(2)7-5-8-14(17)3/h4-10,12H,1,11H2,2-3H3,(H,19,20)
InChIKeyKIFMFNKIVUUDFT-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

3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
N-(2-cyanophenyl)-3-prop-2-enoxybenzamide
CID 2994048
3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2995099
N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
CID 2972123
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
CID 18952446
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17139786
2-methyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17086820
methyl 3-[(3-prop-2-enoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175695

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide (CID 2231510) is N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide is C=CCOc1cccc(C(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide?
The InChIKey is KIFMFNKIVUUDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-4-11-21-16-10-6-9-15(12-16)18(20)19-17-13(2)7-5-8-14(17)3/h4-10,12H,1,11H2,2-3H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide?
N-(2,6-dimethylphenyl)-3-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-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide is sourced from PubChem (CID 2231510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).