(Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide

C15H18N2O3 — CID 19183544

IUPAC(Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\c1cc(OC)ccc1OC
InChIInChI=1S/C15H18N2O3/c1-4-7-17-15(18)12(10-16)8-11-9-13(19-2)5-6-14(11)20-3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)/b12-8-
InChIKeyRGPJMXWZCWPCFU-WQLSENKSSA-N
MW274.32 g/mol
LogP2.14
Rot. Bonds6

About (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide

(Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide (PubChem CID 19183544) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide
PubChem CID19183544
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\c1cc(OC)ccc1OC
InChIInChI=1S/C15H18N2O3/c1-4-7-17-15(18)12(10-16)8-11-9-13(19-2)5-6-14(11)20-3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)/b12-8-
InChIKeyRGPJMXWZCWPCFU-WQLSENKSSA-N
XLogP2.14
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 3677507
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 19183535
(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 124624512
(E)-2-cyano-N-hexyl-3-(2-methoxyphenyl)prop-2-enamide
CID 6534011
(E)-2-cyano-3-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 6254904
[4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] propanoate
CID 19184397
(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-[3-oxo-3-(propylamino)propyl]prop-2-enamide
CID 99196253
3-(2-butoxyphenyl)-2-cyano-N-propylprop-2-enamide
CID 3986173
(E)-N-benzyl-2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 35635544
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
(E)-3-(3-butoxy-4-methoxyphenyl)-N-butyl-2-cyanoprop-2-enamide
CID 30883856
[4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 6-methoxy-2-oxochromene-3-carboxylate
CID 19207246

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide (CID 19183544) is (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\c1cc(OC)ccc1OC.
What is the InChIKey of (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide?
The InChIKey is RGPJMXWZCWPCFU-WQLSENKSSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-7-17-15(18)12(10-16)8-11-9-13(19-2)5-6-14(11)20-3/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)/b12-8-.
What are the key properties of (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide?
(Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,5-dimethoxyphenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 19183544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).