2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide

C20H23NO3 — CID 112836023

IUPAC2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
SMILESC=CCOc1ccccc1C(=O)NCc1ccc(OCCC)cc1
InChIInChI=1S/C20H23NO3/c1-3-13-23-17-11-9-16(10-12-17)15-21-20(22)18-7-5-6-8-19(18)24-14-4-2/h4-12H,2-3,13-15H2,1H3,(H,21,22)
InChIKeyGUCZBFVNGFIAAE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.97
Rot. Bonds9

About 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide

2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide (PubChem CID 112836023) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
PubChem CID112836023
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
SMILESC=CCOc1ccccc1C(=O)NCc1ccc(OCCC)cc1
InChIInChI=1S/C20H23NO3/c1-3-13-23-17-11-9-16(10-12-17)15-21-20(22)18-7-5-6-8-19(18)24-14-4-2/h4-12H,2-3,13-15H2,1H3,(H,21,22)
InChIKeyGUCZBFVNGFIAAE-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.97
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-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30829879
2-butoxy-N-prop-2-enylbenzamide
CID 4941031
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
CID 17086740
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
2-propoxy-N-propylbenzamide
CID 58831728
5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
CID 115700247

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide?
The IUPAC name of 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide (CID 112836023) is 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide is C=CCOc1ccccc1C(=O)NCc1ccc(OCCC)cc1.
What is the InChIKey of 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide?
The InChIKey is GUCZBFVNGFIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-13-23-17-11-9-16(10-12-17)15-21-20(22)18-7-5-6-8-19(18)24-14-4-2/h4-12H,2-3,13-15H2,1H3,(H,21,22).
What are the key properties of 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide?
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide is sourced from PubChem (CID 112836023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).