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

C14H17NO3 — CID 28119

IUPAC3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17NO3/c1-4-9-15-14(16)8-6-11-5-7-12(17-2)13(10-11)18-3/h4-8,10H,1,9H2,2-3H3,(H,15,16)
InChIKeyBBCDSKLCWPXIKJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.02
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 28119) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
PubChem CID28119
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17NO3/c1-4-9-15-14(16)8-6-11-5-7-12(17-2)13(10-11)18-3/h4-8,10H,1,9H2,2-3H3,(H,15,16)
InChIKeyBBCDSKLCWPXIKJ-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-prop-2-enylprop-2-enamide
CID 19191846
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-N-(2-hydroxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 78783486
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide (CID 28119) is 3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)C=Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is BBCDSKLCWPXIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-9-15-14(16)8-6-11-5-7-12(17-2)13(10-11)18-3/h4-8,10H,1,9H2,2-3H3,(H,15,16).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 247.29 g/mol, XLogP of 2.02, 6 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-prop-2-enylprop-2-enamide is sourced from PubChem (CID 28119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).