3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

C20H23NO3 — CID 963630

IUPAC3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)C=Cc1c(OC)cccc1OC
InChIInChI=1S/C20H23NO3/c1-5-15-9-6-8-14(2)20(15)21-19(22)13-12-16-17(23-3)10-7-11-18(16)24-4/h6-13H,5H2,1-4H3,(H,21,22)
InChIKeyDYWZSFDNEDWKBZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.23
Rot. Bonds6

About 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (PubChem CID 963630) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
PubChem CID963630
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)C=Cc1c(OC)cccc1OC
InChIInChI=1S/C20H23NO3/c1-5-15-9-6-8-14(2)20(15)21-19(22)13-12-16-17(23-3)10-7-11-18(16)24-4/h6-13H,5H2,1-4H3,(H,21,22)
InChIKeyDYWZSFDNEDWKBZ-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.23
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,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086671
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 7900240
(E)-3-(3,4-dimethoxyphenyl)-N-[(2-ethyl-6-methylphenyl)carbamothioyl]prop-2-enamide
CID 6234252
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 8015224
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086673
3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 963632
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (CID 963630) is 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is CCc1cccc(C)c1NC(=O)C=Cc1c(OC)cccc1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The InChIKey is DYWZSFDNEDWKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-15-9-6-8-14(2)20(15)21-19(22)13-12-16-17(23-3)10-7-11-18(16)24-4/h6-13H,5H2,1-4H3,(H,21,22).
What are the key properties of 3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 4.23, 6 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-(2-ethyl-6-methylphenyl)prop-2-enamide is sourced from PubChem (CID 963630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).