3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

C19H21NO3 — CID 963632

IUPAC3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
SMILESCOc1cccc(OC)c1C=CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H21NO3/c1-13-10-14(2)12-15(11-13)20-19(21)9-8-16-17(22-3)6-5-7-18(16)23-4/h5-12H,1-4H3,(H,20,21)
InChIKeyJANJCNASLJBSJK-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.97
Rot. Bonds5

About 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide (PubChem CID 963632) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
PubChem CID963632
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
SMILESCOc1cccc(OC)c1C=CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H21NO3/c1-13-10-14(2)12-15(11-13)20-19(21)9-8-16-17(22-3)6-5-7-18(16)23-4/h5-12H,1-4H3,(H,20,21)
InChIKeyJANJCNASLJBSJK-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide
CID 28560857
(E)-3-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126241968
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
3-(2,6-dimethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 963710
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 963630
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3,5-dimethylphenyl)prop-2-enamide
CID 7961050
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 43906876
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 27666802

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide (CID 963632) is 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide is COc1cccc(OC)c1C=CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The InChIKey is JANJCNASLJBSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-10-14(2)12-15(11-13)20-19(21)9-8-16-17(22-3)6-5-7-18(16)23-4/h5-12H,1-4H3,(H,20,21).
What are the key properties of 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 963632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).