3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide

C14H19NO3 — CID 912467

IUPAC3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC(C)C)cc1OC
InChIInChI=1S/C14H19NO3/c1-10(2)15-14(16)8-6-11-5-7-12(17-3)13(9-11)18-4/h5-10H,1-4H3,(H,15,16)
InChIKeyJUMPWDMRJLWSIL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.24
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide

3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 912467) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID912467
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC(C)C)cc1OC
InChIInChI=1S/C14H19NO3/c1-10(2)15-14(16)8-6-11-5-7-12(17-3)13(9-11)18-4/h5-10H,1-4H3,(H,15,16)
InChIKeyJUMPWDMRJLWSIL-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.24
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)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
(Z)-3-(3,4-dimethoxyphenyl)-N-(propan-2-ylcarbamothioyl)prop-2-enamide
CID 93095178
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(E)-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8962900
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
(E)-3-(3,4-dimethoxyphenyl)-N-heptan-4-ylprop-2-enamide
CID 57331077
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-propan-2-ylprop-2-enamide
CID 19176949
(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481703

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide (CID 912467) is 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide is COc1ccc(C=CC(=O)NC(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is JUMPWDMRJLWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)15-14(16)8-6-11-5-7-12(17-3)13(9-11)18-4/h5-10H,1-4H3,(H,15,16).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 2.24, 5 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-propan-2-ylprop-2-enamide is sourced from PubChem (CID 912467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).