(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide

C20H36N4O — CID 108862743

IUPAC(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
SMILESCN(C)CCN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H36N4O/c1-24(2)15-14-22-17-18(16-21)20(25)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h17,19,22H,3-15H2,1-2H3,(H,23,25)/b18-17-
InChIKeyWTZUZMANIUZONZ-ZCXUNETKSA-N
MW348.54 g/mol
LogP3.33
Rot. Bonds6

About (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide

(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide (PubChem CID 108862743) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
PubChem CID108862743
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
SMILESCN(C)CCN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H36N4O/c1-24(2)15-14-22-17-18(16-21)20(25)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h17,19,22H,3-15H2,1-2H3,(H,23,25)/b18-17-
InChIKeyWTZUZMANIUZONZ-ZCXUNETKSA-N
XLogP3.33
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108862674
(Z)-2-cyano-N-cyclododecyl-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108862694
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(Z)-3-(3-chloropropylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835499
(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide
CID 108831514
(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide
CID 108831372
(Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide
CID 108835621
(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
CID 108862557
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586
(Z)-2-cyano-N-cyclododecyl-3-[2-(3-methylphenyl)ethylamino]prop-2-enamide
CID 108862853
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide (CID 108862743) is (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide is CN(C)CCN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide?
The InChIKey is WTZUZMANIUZONZ-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H36N4O/c1-24(2)15-14-22-17-18(16-21)20(25)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h17,19,22H,3-15H2,1-2H3,(H,23,25)/b18-17-.
What are the key properties of (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide?
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide has a molecular weight of 348.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide is sourced from PubChem (CID 108862743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).