(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

C21H31N3O — CID 108850816

IUPAC(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)Nc1c(C)cccc1CC)CCCC
InChIInChI=1S/C21H31N3O/c1-5-8-13-24(14-9-6-2)16-19(15-22)21(25)23-20-17(4)11-10-12-18(20)7-3/h10-12,16H,5-9,13-14H2,1-4H3,(H,23,25)/b19-16-
InChIKeyLNKSUVSMCBTHTO-MNDPQUGUSA-N
MW341.50 g/mol
LogP4.81
Rot. Bonds10

About (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (PubChem CID 108850816) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
PubChem CID108850816
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
SMILESCCCCN(/C=C(/C#N)C(=O)Nc1c(C)cccc1CC)CCCC
InChIInChI=1S/C21H31N3O/c1-5-8-13-24(14-9-6-2)16-19(15-22)21(25)23-20-17(4)11-10-12-18(20)7-3/h10-12,16H,5-9,13-14H2,1-4H3,(H,23,25)/b19-16-
InChIKeyLNKSUVSMCBTHTO-MNDPQUGUSA-N
XLogP4.81
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.81
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'}

Analyze (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)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-3-(dipropylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850857
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850855
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-(propylamino)prop-2-enamide
CID 108850646
(Z)-3-(4-butylanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850667
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849394
(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825179
(Z)-2-cyano-3-(dipropylamino)-N-(2-methylphenyl)prop-2-enamide
CID 108821492
(Z)-2-cyano-3-[4-(dimethylamino)anilino]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850848
4-[[(Z)-2-cyano-3-(dibutylamino)prop-2-enoyl]amino]benzoic acid
CID 108823316
(Z)-2-cyano-N-(2-ethyl-6-methylphenyl)-3-[2-(2-methylphenyl)ethylamino]prop-2-enamide
CID 108850971
(Z)-N-(4-butylphenyl)-2-cyano-3-(2-ethyl-6-methylanilino)prop-2-enamide
CID 108828074
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide (CID 108850816) is (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is CCCCN(/C=C(/C#N)C(=O)Nc1c(C)cccc1CC)CCCC.
What is the InChIKey of (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
The InChIKey is LNKSUVSMCBTHTO-MNDPQUGUSA-N. The full InChI is InChI=1S/C21H31N3O/c1-5-8-13-24(14-9-6-2)16-19(15-22)21(25)23-20-17(4)11-10-12-18(20)7-3/h10-12,16H,5-9,13-14H2,1-4H3,(H,23,25)/b19-16-.
What are the key properties of (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide has a molecular weight of 341.50 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dibutylamino)-N-(2-ethyl-6-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108850816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).