2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide

C23H26N2O3 — CID 5224430

IUPAC2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESCCCOc1ccc(C=C(C#N)C(=O)NCCc2ccccc2)cc1OCC
InChIInChI=1S/C23H26N2O3/c1-3-14-28-21-11-10-19(16-22(21)27-4-2)15-20(17-24)23(26)25-13-12-18-8-6-5-7-9-18/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,25,26)
InChIKeyLBLPDELJNAAHBV-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.14
Rot. Bonds10

About 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide

2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 5224430) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID5224430
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESCCCOc1ccc(C=C(C#N)C(=O)NCCc2ccccc2)cc1OCC
InChIInChI=1S/C23H26N2O3/c1-3-14-28-21-11-10-19(16-22(21)27-4-2)15-20(17-24)23(26)25-13-12-18-8-6-5-7-9-18/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,25,26)
InChIKeyLBLPDELJNAAHBV-UHFFFAOYSA-N
XLogP4.14
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.14
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

(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 2382177
(Z)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 19183882
2-cyano-3-(3-ethoxy-4-phenylmethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 3140796
2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 3297681
(E)-2-cyano-3-(3,4-diethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 124628043
(Z)-2-cyano-3-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126257026
(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 30831570
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
(E)-2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 17276055
(Z)-3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 19183866
(E)-2-cyano-N-cyclopropyl-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
CID 6085512
2-cyano-3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22681793

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide (CID 5224430) is 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide is CCCOc1ccc(C=C(C#N)C(=O)NCCc2ccccc2)cc1OCC.
What is the InChIKey of 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is LBLPDELJNAAHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-14-28-21-11-10-19(16-22(21)27-4-2)15-20(17-24)23(26)25-13-12-18-8-6-5-7-9-18/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,25,26).
What are the key properties of 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 378.47 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 5224430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).