N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

C20H21NO4 — CID 31842136

IUPACN-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H21NO4/c1-5-8-14-11-15(12-18(24-3)19(14)25-4)20(23)21-17-10-7-6-9-16(17)13(2)22/h5-7,9-12H,1,8H2,2-4H3,(H,21,23)
InChIKeyOFYZKPVLWSKKHW-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.89
Rot. Bonds7

About N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 31842136) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID31842136
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H21NO4/c1-5-8-14-11-15(12-18(24-3)19(14)25-4)20(23)21-17-10-7-6-9-16(17)13(2)22/h5-7,9-12H,1,8H2,2-4H3,(H,21,23)
InChIKeyOFYZKPVLWSKKHW-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.89
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-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55677135
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27256082
methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 31842136) is N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccccc2C(C)=O)cc(OC)c1OC.
What is the InChIKey of N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is OFYZKPVLWSKKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-5-8-14-11-15(12-18(24-3)19(14)25-4)20(23)21-17-10-7-6-9-16(17)13(2)22/h5-7,9-12H,1,8H2,2-4H3,(H,21,23).
What are the key properties of N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 339.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 31842136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).