(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide

C20H27N3O2 — CID 108848956

IUPAC(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NC(C)c1ccc2c(c1)CCCC2)CCO
InChIInChI=1S/C20H27N3O2/c1-3-23(10-11-24)14-19(13-21)20(25)22-15(2)17-9-8-16-6-4-5-7-18(16)12-17/h8-9,12,14-15,24H,3-7,10-11H2,1-2H3,(H,22,25)/b19-14-
InChIKeyDACKQZLYRJWWDQ-RGEXLXHISA-N
MW341.46 g/mol
LogP2.46
Rot. Bonds7

About (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide

(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide (PubChem CID 108848956) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
PubChem CID108848956
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NC(C)c1ccc2c(c1)CCCC2)CCO
InChIInChI=1S/C20H27N3O2/c1-3-23(10-11-24)14-19(13-21)20(25)22-15(2)17-9-8-16-6-4-5-7-18(16)12-17/h8-9,12,14-15,24H,3-7,10-11H2,1-2H3,(H,22,25)/b19-14-
InChIKeyDACKQZLYRJWWDQ-RGEXLXHISA-N
XLogP2.46
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
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'}

Analyze (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848978
(Z)-2-cyano-3-(propylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848781
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848275
(Z)-2-cyano-3-piperidin-1-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848894
(Z)-3-(4-acetamidoanilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848777
2-[4-[[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]prop-1-enyl]amino]phenyl]acetic acid
CID 108848929
(Z)-2-cyano-3-[1-(3,4-dimethoxyphenyl)ethylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848853
(Z)-2-cyano-3-[2-(4-methoxyphenyl)ethylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848831
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848911
2-[[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]prop-1-enyl]amino]-4-methylsulfanylbutanoic acid
CID 108848852
(Z)-2-cyano-3-(4-nitroanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848869
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848790

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide (CID 108848956) is (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide is CCN(/C=C(/C#N)C(=O)NC(C)c1ccc2c(c1)CCCC2)CCO.
What is the InChIKey of (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The InChIKey is DACKQZLYRJWWDQ-RGEXLXHISA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-23(10-11-24)14-19(13-21)20(25)22-15(2)17-9-8-16-6-4-5-7-18(16)12-17/h8-9,12,14-15,24H,3-7,10-11H2,1-2H3,(H,22,25)/b19-14-.
What are the key properties of (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
(Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide has a molecular weight of 341.46 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 108848956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).