(Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide

C16H20N2O3 — CID 2364639

IUPAC(Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C(/C#N)C(N)=O)c(OCCC)c1
InChIInChI=1S/C16H20N2O3/c1-3-7-20-14-6-5-12(9-13(11-17)16(18)19)15(10-14)21-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19)/b13-9-
InChIKeySXYAUALKGRDWPX-LCYFTJDESA-N
MW288.35 g/mol
LogP2.66
Rot. Bonds8

About (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide

(Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide (PubChem CID 2364639) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide
PubChem CID2364639
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C(/C#N)C(N)=O)c(OCCC)c1
InChIInChI=1S/C16H20N2O3/c1-3-7-20-14-6-5-12(9-13(11-17)16(18)19)15(10-14)21-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19)/b13-9-
InChIKeySXYAUALKGRDWPX-LCYFTJDESA-N
XLogP2.66
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.66
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-(2,4-dipropoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 40625864
(Z)-2-cyano-3-[2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 7317517
(E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2420185
2-cyano-3-(2-propoxyphenyl)prop-2-enoate
CID 3287238
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
2-cyano-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]prop-2-enamide
CID 2891310
[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
CID 7681958
(E)-3-[2-(3-cyanopropoxy)-4-propoxyphenyl]prop-2-enoic acid
CID 43472411
(Z)-2-cyano-3-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]prop-2-enoate
CID 42178824
(E)-3-[2-(cyanomethoxy)-4-propoxyphenyl]prop-2-enoic acid
CID 43472410
ethyl 3-(2-butoxyphenyl)-2-cyanoprop-2-enoate
CID 4778537
propyl 2-cyano-3-(2-ethoxyphenyl)prop-2-enoate
CID 139578130

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide (CID 2364639) is (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C(/C#N)C(N)=O)c(OCCC)c1.
What is the InChIKey of (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide?
The InChIKey is SXYAUALKGRDWPX-LCYFTJDESA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-7-20-14-6-5-12(9-13(11-17)16(18)19)15(10-14)21-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19)/b13-9-.
What are the key properties of (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,4-dipropoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2364639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).