(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide

C17H19N3O — CID 108858579

IUPAC(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
SMILESC=CCN(/C=C(/C#N)C(=O)Nc1cccc(C)c1)CC=C
InChIInChI=1S/C17H19N3O/c1-4-9-20(10-5-2)13-15(12-18)17(21)19-16-8-6-7-14(3)11-16/h4-8,11,13H,1-2,9-10H2,3H3,(H,19,21)/b15-13-
InChIKeyUNXZJRNYFJGPEZ-SQFISAMPSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds7

About (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide

(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide (PubChem CID 108858579) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
PubChem CID108858579
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
SMILESC=CCN(/C=C(/C#N)C(=O)Nc1cccc(C)c1)CC=C
InChIInChI=1S/C17H19N3O/c1-4-9-20(10-5-2)13-15(12-18)17(21)19-16-8-6-7-14(3)11-16/h4-8,11,13H,1-2,9-10H2,3H3,(H,19,21)/b15-13-
InChIKeyUNXZJRNYFJGPEZ-SQFISAMPSA-N
XLogP3.02
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857833
(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 108821764
(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858717
(Z)-2-cyano-N-(3-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 99868430
(Z)-3-[bis(prop-2-enyl)amino]-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
CID 108852238
(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide
CID 108856788
(Z)-3-(4-bromoanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858457
(Z)-2-cyano-N-(3-methylphenyl)-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108858673
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
2-cyano-N-(3-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 958696
(Z)-2-cyano-N-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 124624476
(Z)-N-(3-acetylphenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108856766

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide (CID 108858579) is (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide is C=CCN(/C=C(/C#N)C(=O)Nc1cccc(C)c1)CC=C.
What is the InChIKey of (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is UNXZJRNYFJGPEZ-SQFISAMPSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-9-20(10-5-2)13-15(12-18)17(21)19-16-8-6-7-14(3)11-16/h4-8,11,13H,1-2,9-10H2,3H3,(H,19,21)/b15-13-.
What are the key properties of (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide?
(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108858579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).