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

C22H40N4O — CID 108862674

IUPAC(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
SMILESCCN(CC)CCN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H40N4O/c1-3-26(4-2)17-16-24-19-20(18-23)22(27)25-21-14-12-10-8-6-5-7-9-11-13-15-21/h19,21,24H,3-17H2,1-2H3,(H,25,27)/b20-19-
InChIKeyVHCGAVXXMOYCDF-VXPUYCOJSA-N
MW376.59 g/mol
LogP4.11
Rot. Bonds8

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

(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide (PubChem CID 108862674) has the molecular formula C22H40N4O and a molecular weight of 376.59 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
PubChem CID108862674
Molecular FormulaC22H40N4O
Molecular Weight376.59 g/mol
Exact Mass376.32
IUPAC Name(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
SMILESCCN(CC)CCN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H40N4O/c1-3-26(4-2)17-16-24-19-20(18-23)22(27)25-21-14-12-10-8-6-5-7-9-11-13-15-21/h19,21,24H,3-17H2,1-2H3,(H,25,27)/b20-19-
InChIKeyVHCGAVXXMOYCDF-VXPUYCOJSA-N
XLogP4.11
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 54.11
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-[3-(diethylamino)propylamino]prop-2-enamide
CID 108862694
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
CID 108862743
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide
CID 108831372
(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-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
CID 108862557
(Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide
CID 108835621
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide
CID 108835592
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide (CID 108862674) is (Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide is CCN(CC)CCN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide?
The InChIKey is VHCGAVXXMOYCDF-VXPUYCOJSA-N. The full InChI is InChI=1S/C22H40N4O/c1-3-26(4-2)17-16-24-19-20(18-23)22(27)25-21-14-12-10-8-6-5-7-9-11-13-15-21/h19,21,24H,3-17H2,1-2H3,(H,25,27)/b20-19-.
What are the key properties of (Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide?
(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide has a molecular weight of 376.59 g/mol, XLogP of 4.11, 8 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-(diethylamino)ethylamino]prop-2-enamide is sourced from PubChem (CID 108862674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).