(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide

C14H16N2O3 — CID 6281097

IUPAC(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C(\C#N)C(N)=O)cc1OCC
InChIInChI=1S/C14H16N2O3/c1-3-18-12-6-5-10(8-13(12)19-4-2)7-11(9-15)14(16)17/h5-8H,3-4H2,1-2H3,(H2,16,17)/b11-7+
InChIKeyWTYKOOJIAQWQTP-YRNVUSSQSA-N
MW260.29 g/mol
LogP1.88
Rot. Bonds6

About (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide

(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide (PubChem CID 6281097) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide
PubChem CID6281097
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C(\C#N)C(N)=O)cc1OCC
InChIInChI=1S/C14H16N2O3/c1-3-18-12-6-5-10(8-13(12)19-4-2)7-11(9-15)14(16)17/h5-8H,3-4H2,1-2H3,(H2,16,17)/b11-7+
InChIKeyWTYKOOJIAQWQTP-YRNVUSSQSA-N
XLogP1.88
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.88
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

(E)-2-cyano-3-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enamide
CID 6062149
(E)-2-cyano-3-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 6245005
2-cyano-3-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 5001447
(Z)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 7276228
2-cyano-3-[3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 3656313
(E)-2-cyano-3-[4-(cyanomethoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 50884425
(E)-2-cyano-3-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]prop-2-enamide
CID 7911553
ethyl (Z)-2-cyano-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate
CID 6062082
(E)-2-cyano-3-[3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 35212711
2-cyano-3-[3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 3879516
2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoic acid
CID 2793668
(Z)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enamide
CID 75460214

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide (CID 6281097) is (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C(\C#N)C(N)=O)cc1OCC.
What is the InChIKey of (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide?
The InChIKey is WTYKOOJIAQWQTP-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-18-12-6-5-10(8-13(12)19-4-2)7-11(9-15)14(16)17/h5-8H,3-4H2,1-2H3,(H2,16,17)/b11-7+.
What are the key properties of (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide?
(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide has a molecular weight of 260.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6281097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).