2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide

C20H23NO4 — CID 17086764

IUPAC2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(OCC)cc2OCC)c1
InChIInChI=1S/C20H23NO4/c1-4-12-25-16-9-7-8-15(13-16)21-20(22)18-11-10-17(23-5-2)14-19(18)24-6-3/h4,7-11,13-14H,1,5-6,12H2,2-3H3,(H,21,22)
InChIKeyAZUNDNRDEVAQJV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.30
Rot. Bonds9

About 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide

2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 17086764) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID17086764
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(OCC)cc2OCC)c1
InChIInChI=1S/C20H23NO4/c1-4-12-25-16-9-7-8-15(13-16)21-20(22)18-11-10-17(23-5-2)14-19(18)24-6-3/h4,7-11,13-14H,1,5-6,12H2,2-3H3,(H,21,22)
InChIKeyAZUNDNRDEVAQJV-UHFFFAOYSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
CID 17086740
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
CID 6461638
4-chloro-2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 17362963
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
2,4-dimethoxy-N-(3-propoxyphenyl)benzamide
CID 34372962
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide (CID 17086764) is 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccc(OCC)cc2OCC)c1.
What is the InChIKey of 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is AZUNDNRDEVAQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-12-25-16-9-7-8-15(13-16)21-20(22)18-11-10-17(23-5-2)14-19(18)24-6-3/h4,7-11,13-14H,1,5-6,12H2,2-3H3,(H,21,22).
What are the key properties of 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide?
2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17086764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).