(Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide

C15H18N2O2 — CID 19175082

IUPAC(Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H18N2O2/c1-4-19-14-7-5-12(6-8-14)9-13(10-16)15(18)17-11(2)3/h5-9,11H,4H2,1-3H3,(H,17,18)/b13-9-
InChIKeyGEJLTBFBNTYAGW-LCYFTJDESA-N
MW258.32 g/mol
LogP2.52
Rot. Bonds5

About (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 19175082) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID19175082
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H18N2O2/c1-4-19-14-7-5-12(6-8-14)9-13(10-16)15(18)17-11(2)3/h5-9,11H,4H2,1-3H3,(H,17,18)/b13-9-
InChIKeyGEJLTBFBNTYAGW-LCYFTJDESA-N
XLogP2.52
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 6034042
(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 2713943
methyl 2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 3512526
2-cyano-3-(4-ethoxyphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 111486441
(Z)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-propan-2-ylprop-2-enamide
CID 124651830
2-cyano-3-(4-ethoxyphenyl)prop-2-enoic acid
CID 3557192
[(1R)-1-cyanoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 8884672
ethyl 2-[4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-ethoxyphenoxy]acetate
CID 6244063
N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251
2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 5025351
2-cyano-3-(4-ethoxyphenyl)-N-(3-propan-2-yloxyphenyl)prop-2-enamide
CID 165344868
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide (CID 19175082) is (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide is CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is GEJLTBFBNTYAGW-LCYFTJDESA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-19-14-7-5-12(6-8-14)9-13(10-16)15(18)17-11(2)3/h5-9,11H,4H2,1-3H3,(H,17,18)/b13-9-.
What are the key properties of (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 19175082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).