N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide

C20H23NO3 — CID 112817432

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N(CC)Cc1ccc(OC)cc1
InChIInChI=1S/C20H23NO3/c1-4-14-24-19-9-7-6-8-18(19)20(22)21(5-2)15-16-10-12-17(23-3)13-11-16/h4,6-13H,1,5,14-15H2,2-3H3
InChIKeyXOKCOZFKIBOBNN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.92
Rot. Bonds8

About N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide (PubChem CID 112817432) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide
PubChem CID112817432
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N(CC)Cc1ccc(OC)cc1
InChIInChI=1S/C20H23NO3/c1-4-14-24-19-9-7-6-8-18(19)20(22)21(5-2)15-16-10-12-17(23-3)13-11-16/h4,6-13H,1,5,14-15H2,2-3H3
InChIKeyXOKCOZFKIBOBNN-UHFFFAOYSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide (CID 112817432) is N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)N(CC)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide?
The InChIKey is XOKCOZFKIBOBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-14-24-19-9-7-6-8-18(19)20(22)21(5-2)15-16-10-12-17(23-3)13-11-16/h4,6-13H,1,5,14-15H2,2-3H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 112817432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).