(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide

C16H19N3O2 — CID 108856788

IUPAC(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1cccc(C(C)=O)c1)CC
InChIInChI=1S/C16H19N3O2/c1-4-19(5-2)11-14(10-17)16(21)18-15-8-6-7-13(9-15)12(3)20/h6-9,11H,4-5H2,1-3H3,(H,18,21)/b14-11-
InChIKeyOPVJIUOQPOEVCO-KAMYIIQDSA-N
MW285.35 g/mol
LogP2.58
Rot. Bonds6

About (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide

(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide (PubChem CID 108856788) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide
PubChem CID108856788
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)Nc1cccc(C(C)=O)c1)CC
InChIInChI=1S/C16H19N3O2/c1-4-19(5-2)11-14(10-17)16(21)18-15-8-6-7-13(9-15)12(3)20/h6-9,11H,4-5H2,1-3H3,(H,18,21)/b14-11-
InChIKeyOPVJIUOQPOEVCO-KAMYIIQDSA-N
XLogP2.58
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.58
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)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)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)-N-(3-acetylphenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108856766
(Z)-N-(3-acetylphenyl)-3-[benzyl(2-hydroxyethyl)amino]-2-cyanoprop-2-enamide
CID 108856767
3-[[(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108816126
(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
CID 108856600
(Z)-N-(3-acetylphenyl)-3-(4-tert-butylanilino)-2-cyanoprop-2-enamide
CID 108856828
(Z)-N-(3-acetylphenyl)-2-cyano-3-(2,2-dimethoxyethylamino)prop-2-enamide
CID 108856831
4-[[(Z)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108856838
(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide
CID 108856731
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827344
tert-butyl N-[(Z)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]-N-(2-aminoethyl)carbamate
CID 108856959
2-[[(Z)-3-(3-acetylanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108856823
(Z)-N-(3-acetylphenyl)-3-(2-tert-butylanilino)-2-cyanoprop-2-enamide
CID 108856833

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide (CID 108856788) is (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide is CCN(/C=C(/C#N)C(=O)Nc1cccc(C(C)=O)c1)CC.
What is the InChIKey of (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide?
The InChIKey is OPVJIUOQPOEVCO-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-19(5-2)11-14(10-17)16(21)18-15-8-6-7-13(9-15)12(3)20/h6-9,11H,4-5H2,1-3H3,(H,18,21)/b14-11-.
What are the key properties of (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide?
(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide has a molecular weight of 285.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide is sourced from PubChem (CID 108856788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).