2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide

C23H21NO3 — CID 17098011

IUPAC2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccccc1NC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H21NO3/c1-2-16-26-22-15-9-7-13-20(22)24-23(25)19-12-6-8-14-21(19)27-17-18-10-4-3-5-11-18/h2-15H,1,16-17H2,(H,24,25)
InChIKeyXJGBKSRIHSDYOF-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.08
Rot. Bonds8

About 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide

2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide (PubChem CID 17098011) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
PubChem CID17098011
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccccc1NC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H21NO3/c1-2-16-26-22-15-9-7-13-20(22)24-23(25)19-12-6-8-14-21(19)27-17-18-10-4-3-5-11-18/h2-15H,1,16-17H2,(H,24,25)
InChIKeyXJGBKSRIHSDYOF-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide
CID 157466359
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide
CID 134843710
2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093705
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
CID 4946343
5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098043
N-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide (CID 17098011) is 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide is C=CCOc1ccccc1NC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide?
The InChIKey is XJGBKSRIHSDYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-2-16-26-22-15-9-7-13-20(22)24-23(25)19-12-6-8-14-21(19)27-17-18-10-4-3-5-11-18/h2-15H,1,16-17H2,(H,24,25).
What are the key properties of 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide?
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17098011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).