(Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide

C21H23N3O2 — CID 108847412

IUPAC(Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NC(C)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-4-24(19-8-6-5-7-9-19)15-18(14-22)21(25)23-16(2)17-10-12-20(26-3)13-11-17/h5-13,15-16H,4H2,1-3H3,(H,23,25)/b18-15-
InChIKeyRGWQPSLQJSGRSR-SDXDJHTJSA-N
MW349.43 g/mol
LogP3.81
Rot. Bonds7

About (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide

(Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide (PubChem CID 108847412) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
PubChem CID108847412
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NC(C)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-4-24(19-8-6-5-7-9-19)15-18(14-22)21(25)23-16(2)17-10-12-20(26-3)13-11-17/h5-13,15-16H,4H2,1-3H3,(H,23,25)/b18-15-
InChIKeyRGWQPSLQJSGRSR-SDXDJHTJSA-N
XLogP3.81
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.81
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-3-(ethylamino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847432
(Z)-3-(2-bromoanilino)-2-cyano-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847552
(2Z,4E)-2-cyano-5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]penta-2,4-dienamide
CID 126245079
(Z)-2-cyano-3-[2-(4-methoxyphenoxy)ethylamino]-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847536
(Z)-2-cyano-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(N-methylanilino)prop-2-enamide
CID 108847055
(Z)-2-cyano-3-(1-hydroxybutan-2-ylamino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847476
4-[[(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-enyl]amino]butanoic acid
CID 108847358
(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108840054
(Z)-N-butyl-2-cyano-3-(N-ethylanilino)prop-2-enamide
CID 108833684
(Z)-3-(4-acetylpiperazin-1-yl)-2-cyano-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847345
(Z)-3-(N-benzylanilino)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108838971
(Z)-2-cyano-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847566

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide (CID 108847412) is (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide is CCN(/C=C(/C#N)C(=O)NC(C)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is RGWQPSLQJSGRSR-SDXDJHTJSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24(19-8-6-5-7-9-19)15-18(14-22)21(25)23-16(2)17-10-12-20(26-3)13-11-17/h5-13,15-16H,4H2,1-3H3,(H,23,25)/b18-15-.
What are the key properties of (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide?
(Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 349.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(N-ethylanilino)-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 108847412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).