(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide

C24H43N3O — CID 108862693

IUPAC(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1)CCCC
InChIInChI=1S/C24H43N3O/c1-3-5-18-27(19-6-4-2)21-22(20-25)24(28)26-23-16-14-12-10-8-7-9-11-13-15-17-23/h21,23H,3-19H2,1-2H3,(H,26,28)/b22-21-
InChIKeyUFIKNOMSBITKBT-DQRAZIAOSA-N
MW389.63 g/mol
LogP6.09
Rot. Bonds9

About (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide

(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide (PubChem CID 108862693) has the molecular formula C24H43N3O and a molecular weight of 389.63 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide
PubChem CID108862693
Molecular FormulaC24H43N3O
Molecular Weight389.63 g/mol
Exact Mass389.34
IUPAC Name(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1)CCCC
InChIInChI=1S/C24H43N3O/c1-3-5-18-27(19-6-4-2)21-22(20-25)24(28)26-23-16-14-12-10-8-7-9-11-13-15-17-23/h21,23H,3-19H2,1-2H3,(H,26,28)/b22-21-
InChIKeyUFIKNOMSBITKBT-DQRAZIAOSA-N
XLogP6.09
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.63
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-cyclopentyl-3-(diethylamino)prop-2-enamide
CID 108835592
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
(Z)-2-cyano-N-cyclododecyl-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108862694
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108862674
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
CID 108862743
(Z)-2-cyano-N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-ethylamino]prop-2-enamide
CID 108831526
(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 19175534
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373
(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide
CID 108831372
(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
CID 108831412
(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-(dibutylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide (CID 108862693) is (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide is CCCCN(/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1)CCCC.
What is the InChIKey of (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide?
The InChIKey is UFIKNOMSBITKBT-DQRAZIAOSA-N. The full InChI is InChI=1S/C24H43N3O/c1-3-5-18-27(19-6-4-2)21-22(20-25)24(28)26-23-16-14-12-10-8-7-9-11-13-15-17-23/h21,23H,3-19H2,1-2H3,(H,26,28)/b22-21-.
What are the key properties of (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide has a molecular weight of 389.63 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclododecyl-3-(dibutylamino)prop-2-enamide is sourced from PubChem (CID 108862693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).