(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide

C22H24N2O3 — CID 2382177

IUPAC(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(CCNC(=O)/C(C#N)=C\c2ccccc2)cc1OCC
InChIInChI=1S/C22H24N2O3/c1-3-26-20-11-10-18(15-21(20)27-4-2)12-13-24-22(25)19(16-23)14-17-8-6-5-7-9-17/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,25)/b19-14-
InChIKeySDLPGVINXHBTKP-RGEXLXHISA-N
MW364.45 g/mol
LogP3.75
Rot. Bonds9

About (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide

(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide (PubChem CID 2382177) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
PubChem CID2382177
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(CCNC(=O)/C(C#N)=C\c2ccccc2)cc1OCC
InChIInChI=1S/C22H24N2O3/c1-3-26-20-11-10-18(15-21(20)27-4-2)12-13-24-22(25)19(16-23)14-17-8-6-5-7-9-17/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,25)/b19-14-
InChIKeySDLPGVINXHBTKP-RGEXLXHISA-N
XLogP3.75
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.75
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

2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 5224430
(E)-2-cyano-3-(3,4-diethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 124628043
2-cyano-3-(3-ethoxy-4-phenylmethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 3140796
(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]prop-2-enamide
CID 24672653
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804
(Z)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 19183882
2-cyano-3-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 3943808
3-(4-tert-butylphenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 4072378
(Z)-2-cyano-3-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126257026
(Z)-3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 19183866
(E)-N-benzyl-2-cyano-3-(4-ethoxy-3-iodophenyl)prop-2-enamide
CID 6526761

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide (CID 2382177) is (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide is CCOc1ccc(CCNC(=O)/C(C#N)=C\c2ccccc2)cc1OCC.
What is the InChIKey of (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is SDLPGVINXHBTKP-RGEXLXHISA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-26-20-11-10-18(15-21(20)27-4-2)12-13-24-22(25)19(16-23)14-17-8-6-5-7-9-17/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,25)/b19-14-.
What are the key properties of (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 2382177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).