N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide

C20H23NO4 — CID 133200218

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-5-12-25-16-8-6-15(7-9-16)20(22)21-14(2)18-13-17(23-3)10-11-19(18)24-4/h5-11,13-14H,1,12H2,2-4H3,(H,21,22)
InChIKeyOKWDQOFHCGFXJA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.76
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide (PubChem CID 133200218) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
PubChem CID133200218
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-5-12-25-16-8-6-15(7-9-16)20(22)21-14(2)18-13-17(23-3)10-11-19(18)24-4/h5-11,13-14H,1,12H2,2-4H3,(H,21,22)
InChIKeyOKWDQOFHCGFXJA-UHFFFAOYSA-N
XLogP3.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.76
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

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 9477750
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[1-(3,4-dimethylphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 132650382
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 133210747
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide (CID 133200218) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC(C)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide?
The InChIKey is OKWDQOFHCGFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-12-25-16-8-6-15(7-9-16)20(22)21-14(2)18-13-17(23-3)10-11-19(18)24-4/h5-11,13-14H,1,12H2,2-4H3,(H,21,22).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide has a molecular weight of 341.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 133200218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).