2-(phenoxymethyl)-N-prop-2-enylbenzamide

C17H17NO2 — CID 9399802

IUPAC2-(phenoxymethyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-12-18-17(19)16-11-7-6-8-14(16)13-20-15-9-4-3-5-10-15/h2-11H,1,12-13H2,(H,18,19)
InChIKeyDJLKAFLTMJXBOY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.18
Rot. Bonds6

About 2-(phenoxymethyl)-N-prop-2-enylbenzamide

2-(phenoxymethyl)-N-prop-2-enylbenzamide (PubChem CID 9399802) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(phenoxymethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-(phenoxymethyl)-N-prop-2-enylbenzamide
PubChem CID9399802
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(phenoxymethyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-12-18-17(19)16-11-7-6-8-14(16)13-20-15-9-4-3-5-10-15/h2-11H,1,12-13H2,(H,18,19)
InChIKeyDJLKAFLTMJXBOY-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.18
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-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
CID 39467394
N-[2-(2-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 24512894
2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524
benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
CID 32982202
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-(phenoxymethyl)-N-prop-2-enylbenzamide (CID 9399802) is 2-(phenoxymethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-(phenoxymethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-(phenoxymethyl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)-N-prop-2-enylbenzamide?
The InChIKey is DJLKAFLTMJXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-12-18-17(19)16-11-7-6-8-14(16)13-20-15-9-4-3-5-10-15/h2-11H,1,12-13H2,(H,18,19).
What are the key properties of 2-(phenoxymethyl)-N-prop-2-enylbenzamide?
2-(phenoxymethyl)-N-prop-2-enylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 9399802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).