4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide

C19H21NO2 — CID 17123750

IUPAC4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
SMILESC=C(C)COc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-15(2)14-22-18-10-8-17(9-11-18)19(21)20-13-12-16-6-4-3-5-7-16/h3-11H,1,12-14H2,2H3,(H,20,21)
InChIKeyZRJFKQIWYWIFLQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.61
Rot. Bonds7

About 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide

4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide (PubChem CID 17123750) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
PubChem CID17123750
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
SMILESC=C(C)COc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-15(2)14-22-18-10-8-17(9-11-18)19(21)20-13-12-16-6-4-3-5-7-16/h3-11H,1,12-14H2,2H3,(H,20,21)
InChIKeyZRJFKQIWYWIFLQ-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.61
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

4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545
4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
CID 1194588
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]-N-(2-phenylethyl)benzamide
CID 1182090
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
4-phenylmethoxy-N-propylbenzamide
CID 4958389

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide (CID 17123750) is 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide is C=C(C)COc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide?
The InChIKey is ZRJFKQIWYWIFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15(2)14-22-18-10-8-17(9-11-18)19(21)20-13-12-16-6-4-3-5-7-16/h3-11H,1,12-14H2,2H3,(H,20,21).
What are the key properties of 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide?
4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide has a molecular weight of 295.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 17123750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).