N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide

C19H21NO3 — CID 17086740

IUPACN-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
SMILESC=CCOc1cccc(NC(=O)c2ccccc2OCCC)c1
InChIInChI=1S/C19H21NO3/c1-3-12-22-16-9-7-8-15(14-16)20-19(21)17-10-5-6-11-18(17)23-13-4-2/h3,5-11,14H,1,4,12-13H2,2H3,(H,20,21)
InChIKeyPOZYXKPLMDIHEA-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.29
Rot. Bonds8

About N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide

N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide (PubChem CID 17086740) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide.

Molecular Properties

Compound NameN-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
PubChem CID17086740
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
SMILESC=CCOc1cccc(NC(=O)c2ccccc2OCCC)c1
InChIInChI=1S/C19H21NO3/c1-3-12-22-16-9-7-8-15(14-16)20-19(21)17-10-5-6-11-18(17)23-13-4-2/h3,5-11,14H,1,4,12-13H2,2H3,(H,20,21)
InChIKeyPOZYXKPLMDIHEA-UHFFFAOYSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.29
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-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
2-hexoxy-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17086853
2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086764
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
2-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096796
2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
CID 6461638
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
5-bromo-2-(2-phenylethoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086780
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide?
The IUPAC name of N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide (CID 17086740) is N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide.
What is the SMILES notation for N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide?
The canonical SMILES for N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide is C=CCOc1cccc(NC(=O)c2ccccc2OCCC)c1.
What is the InChIKey of N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide?
The InChIKey is POZYXKPLMDIHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-12-22-16-9-7-8-15(14-16)20-19(21)17-10-5-6-11-18(17)23-13-4-2/h3,5-11,14H,1,4,12-13H2,2H3,(H,20,21).
What are the key properties of N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide?
N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide has a molecular weight of 311.38 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide is sourced from PubChem (CID 17086740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).