(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide

C17H25N3O2 — CID 108863428

IUPAC(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NCc1ccco1)CCCC
InChIInChI=1S/C17H25N3O2/c1-3-5-9-20(10-6-4-2)14-15(12-18)17(21)19-13-16-8-7-11-22-16/h7-8,11,14H,3-6,9-10,13H2,1-2H3,(H,19,21)/b15-14-
InChIKeyXBXOTZHMWJQCSS-PFONDFGASA-N
MW303.41 g/mol
LogP3.21
Rot. Bonds10

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

(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 108863428) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID108863428
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)NCc1ccco1)CCCC
InChIInChI=1S/C17H25N3O2/c1-3-5-9-20(10-6-4-2)14-15(12-18)17(21)19-13-16-8-7-11-22-16/h7-8,11,14H,3-6,9-10,13H2,1-2H3,(H,19,21)/b15-14-
InChIKeyXBXOTZHMWJQCSS-PFONDFGASA-N
XLogP3.21
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)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)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863429
(Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 19175664
(Z)-3-[butyl(propyl)amino]-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108835925
(Z)-2-cyano-3-(dibutylamino)-N-propylprop-2-enamide
CID 108820332
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108863444
2-cyano-3,3-bis(ethylsulfanyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 13491846
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
(Z)-2-cyano-3-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863453
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108863285

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide (CID 108863428) is (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide is CCCCN(/C=C(/C#N)C(=O)NCc1ccco1)CCCC.
What is the InChIKey of (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is XBXOTZHMWJQCSS-PFONDFGASA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-5-9-20(10-6-4-2)14-15(12-18)17(21)19-13-16-8-7-11-22-16/h7-8,11,14H,3-6,9-10,13H2,1-2H3,(H,19,21)/b15-14-.
What are the key properties of (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 303.41 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108863428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).