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

C20H35N3O — CID 108862557

IUPAC(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
SMILESCC(C)CN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H35N3O/c1-17(2)15-22-16-18(14-21)20(24)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h16-17,19,22H,3-13,15H2,1-2H3,(H,23,24)/b18-16-
InChIKeyFRNOQQPVFGKACR-VLGSPTGOSA-N
MW333.52 g/mol
LogP4.43
Rot. Bonds5

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

(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide (PubChem CID 108862557) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
PubChem CID108862557
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
SMILESCC(C)CN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H35N3O/c1-17(2)15-22-16-18(14-21)20(24)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h16-17,19,22H,3-13,15H2,1-2H3,(H,23,24)/b18-16-
InChIKeyFRNOQQPVFGKACR-VLGSPTGOSA-N
XLogP4.43
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
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-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
CID 108862743
2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108831400
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835446
(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108862674
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide (CID 108862557) is (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide is CC(C)CN/C=C(/C#N)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide?
The InChIKey is FRNOQQPVFGKACR-VLGSPTGOSA-N. The full InChI is InChI=1S/C20H35N3O/c1-17(2)15-22-16-18(14-21)20(24)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h16-17,19,22H,3-13,15H2,1-2H3,(H,23,24)/b18-16-.
What are the key properties of (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide has a molecular weight of 333.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide is sourced from PubChem (CID 108862557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).