3-(2-methylprop-2-enoxy)-N-phenylbenzamide

C17H17NO2 — CID 17133045

IUPAC3-(2-methylprop-2-enoxy)-N-phenylbenzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H17NO2/c1-13(2)12-20-16-10-6-7-14(11-16)17(19)18-15-8-4-3-5-9-15/h3-11H,1,12H2,2H3,(H,18,19)
InChIKeyZBEPBXQKXMURPT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.89
Rot. Bonds5

About 3-(2-methylprop-2-enoxy)-N-phenylbenzamide

3-(2-methylprop-2-enoxy)-N-phenylbenzamide (PubChem CID 17133045) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)-N-phenylbenzamide
PubChem CID17133045
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(2-methylprop-2-enoxy)-N-phenylbenzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H17NO2/c1-13(2)12-20-16-10-6-7-14(11-16)17(19)18-15-8-4-3-5-9-15/h3-11H,1,12H2,2H3,(H,18,19)
InChIKeyZBEPBXQKXMURPT-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17133137
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17133124
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 6473256
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46984256
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-N-phenylbenzamide?
The IUPAC name of 3-(2-methylprop-2-enoxy)-N-phenylbenzamide (CID 17133045) is 3-(2-methylprop-2-enoxy)-N-phenylbenzamide.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)-N-phenylbenzamide?
The canonical SMILES for 3-(2-methylprop-2-enoxy)-N-phenylbenzamide is C=C(C)COc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(2-methylprop-2-enoxy)-N-phenylbenzamide?
The InChIKey is ZBEPBXQKXMURPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(2)12-20-16-10-6-7-14(11-16)17(19)18-15-8-4-3-5-9-15/h3-11H,1,12H2,2H3,(H,18,19).
What are the key properties of 3-(2-methylprop-2-enoxy)-N-phenylbenzamide?
3-(2-methylprop-2-enoxy)-N-phenylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)-N-phenylbenzamide is sourced from PubChem (CID 17133045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).