(E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide

C23H26N2O4 — CID 7967431

IUPAC(E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1c(/C=C(\C#N)C(=O)Nc2ccccc2OCC)cccc1OCC
InChIInChI=1S/C23H26N2O4/c1-4-14-29-22-17(10-9-13-21(22)28-6-3)15-18(16-24)23(26)25-19-11-7-8-12-20(19)27-5-2/h7-13,15H,4-6,14H2,1-3H3,(H,25,26)/b18-15+
InChIKeyVHEPPLHOBIDNAY-OBGWFSINSA-N
MW394.47 g/mol
LogP4.82
Rot. Bonds10

About (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide

(E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide (PubChem CID 7967431) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide
PubChem CID7967431
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1c(/C=C(\C#N)C(=O)Nc2ccccc2OCC)cccc1OCC
InChIInChI=1S/C23H26N2O4/c1-4-14-29-22-17(10-9-13-21(22)28-6-3)15-18(16-24)23(26)25-19-11-7-8-12-20(19)27-5-2/h7-13,15H,4-6,14H2,1-3H3,(H,25,26)/b18-15+
InChIKeyVHEPPLHOBIDNAY-OBGWFSINSA-N
XLogP4.82
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2-propoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 7966926
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide
CID 7969308
(E)-2-cyano-3-(3-ethoxy-2-propoxyphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7966999
(Z)-2-cyano-3-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 78786001
(E)-2-cyano-3-(2-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19206748
(Z)-2-cyano-3-(2-ethoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 19183626
(E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 40625864
(Z)-2-cyano-N-(2-ethoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 2424404
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
(E)-N-(4-bromo-2-methylphenyl)-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19229123
(E)-2-cyano-N-(4-iodo-2-methylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 19206724
(E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2420185

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide (CID 7967431) is (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide is CCCOc1c(/C=C(\C#N)C(=O)Nc2ccccc2OCC)cccc1OCC.
What is the InChIKey of (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide?
The InChIKey is VHEPPLHOBIDNAY-OBGWFSINSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-14-29-22-17(10-9-13-21(22)28-6-3)15-18(16-24)23(26)25-19-11-7-8-12-20(19)27-5-2/h7-13,15H,4-6,14H2,1-3H3,(H,25,26)/b18-15+.
What are the key properties of (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide has a molecular weight of 394.47 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-ethoxyphenyl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7967431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).