3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide

C19H29NO3 — CID 3881543

IUPAC3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
SMILESCCCCC(CC)CNC(=O)C=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H29NO3/c1-5-7-8-15(6-2)14-20-19(21)12-10-16-9-11-17(22-3)18(13-16)23-4/h9-13,15H,5-8,14H2,1-4H3,(H,20,21)
InChIKeyMLBHRGIBPLGDED-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.05
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide

3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide (PubChem CID 3881543) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
PubChem CID3881543
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
SMILESCCCCC(CC)CNC(=O)C=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H29NO3/c1-5-7-8-15(6-2)14-20-19(21)12-10-16-9-11-17(22-3)18(13-16)23-4/h9-13,15H,5-8,14H2,1-4H3,(H,20,21)
InChIKeyMLBHRGIBPLGDED-UHFFFAOYSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.05
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

3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-ethylbutyl)prop-2-enamide
CID 72687804
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 115343618
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-N-(2-aminopropyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82354203
(E)-3-(3,4-dimethoxyphenyl)-N-heptan-4-ylprop-2-enamide
CID 57331077
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
methyl 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoate
CID 5470540

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide (CID 3881543) is 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide is CCCCC(CC)CNC(=O)C=Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide?
The InChIKey is MLBHRGIBPLGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-5-7-8-15(6-2)14-20-19(21)12-10-16-9-11-17(22-3)18(13-16)23-4/h9-13,15H,5-8,14H2,1-4H3,(H,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide has a molecular weight of 319.45 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide is sourced from PubChem (CID 3881543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).