(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide

C15H25N3O2 — CID 108831372

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide
SMILESCCOCCCN/C=C(/C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-2-20-10-6-9-17-12-13(11-16)15(19)18-14-7-4-3-5-8-14/h12,14,17H,2-10H2,1H3,(H,18,19)/b13-12-
InChIKeyKKEUSTCYRJFYNU-SEYXRHQNSA-N
MW279.38 g/mol
LogP1.86
Rot. Bonds8

About (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide (PubChem CID 108831372) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide
PubChem CID108831372
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide
SMILESCCOCCCN/C=C(/C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-2-20-10-6-9-17-12-13(11-16)15(19)18-14-7-4-3-5-8-14/h12,14,17H,2-10H2,1H3,(H,18,19)/b13-12-
InChIKeyKKEUSTCYRJFYNU-SEYXRHQNSA-N
XLogP1.86
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.86
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'}

Analyze (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)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-N-cyclododecyl-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108862694
(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-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide
CID 108835621
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(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)-3-(3-ethoxypropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862187
(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833226
(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-(3-ethoxypropyl)-3-(3-formamidopropylamino)prop-2-enamide
CID 108834142

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide (CID 108831372) is (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide is CCOCCCN/C=C(/C#N)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide?
The InChIKey is KKEUSTCYRJFYNU-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-20-10-6-9-17-12-13(11-16)15(19)18-14-7-4-3-5-8-14/h12,14,17H,2-10H2,1H3,(H,18,19)/b13-12-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 1.86, 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-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide is sourced from PubChem (CID 108831372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).