3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide

C16H23NO3 — CID 3544026

IUPAC3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
SMILESCCCCCNC(=O)C=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-4-5-6-11-17-16(18)10-8-13-7-9-14(19-2)15(12-13)20-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyNJDXKUFLPADDDQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.02
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide

3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide (PubChem CID 3544026) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
PubChem CID3544026
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
SMILESCCCCCNC(=O)C=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO3/c1-4-5-6-11-17-16(18)10-8-13-7-9-14(19-2)15(12-13)20-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyNJDXKUFLPADDDQ-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078
(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide
CID 19176956
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[4-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6277320
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
(E)-3-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]prop-2-enamide
CID 6443666
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]butanoic acid
CID 131846334
3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 3881543

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide (CID 3544026) is 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide is CCCCCNC(=O)C=Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide?
The InChIKey is NJDXKUFLPADDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-5-6-11-17-16(18)10-8-13-7-9-14(19-2)15(12-13)20-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide has a molecular weight of 277.36 g/mol, XLogP of 3.02, 8 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-pentylprop-2-enamide is sourced from PubChem (CID 3544026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).