(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide

C17H25N3O2 — CID 82153029

IUPAC(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)NCCCN(C)C)cc1N
InChIInChI=1S/C17H25N3O2/c1-4-12-22-16-8-6-14(13-15(16)18)7-9-17(21)19-10-5-11-20(2)3/h4,6-9,13H,1,5,10-12,18H2,2-3H3,(H,19,21)/b9-7-
InChIKeyQFPDMWHMSDDMFY-CLFYSBASSA-N
MW303.41 g/mol
LogP1.91
Rot. Bonds9

About (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide

(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide (PubChem CID 82153029) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
PubChem CID82153029
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)NCCCN(C)C)cc1N
InChIInChI=1S/C17H25N3O2/c1-4-12-22-16-8-6-14(13-15(16)18)7-9-17(21)19-10-5-11-20(2)3/h4,6-9,13H,1,5,10-12,18H2,2-3H3,(H,19,21)/b9-7-
InChIKeyQFPDMWHMSDDMFY-CLFYSBASSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]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-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759712
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
CID 82153048
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759668
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 82152915
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide
CID 82153524
(Z)-3-(3-amino-4-methoxyphenyl)-N-[3-(diethylamino)propyl]prop-2-enamide
CID 82152836
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(E)-N-(2-hydroxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 78783486
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-hydroxypropyl)prop-2-enamide
CID 94759660
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 78781263
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide (CID 82153029) is (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide is C=CCOc1ccc(/C=C\C(=O)NCCCN(C)C)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide?
The InChIKey is QFPDMWHMSDDMFY-CLFYSBASSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-12-22-16-8-6-14(13-15(16)18)7-9-17(21)19-10-5-11-20(2)3/h4,6-9,13H,1,5,10-12,18H2,2-3H3,(H,19,21)/b9-7-.
What are the key properties of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide?
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide has a molecular weight of 303.41 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide is sourced from PubChem (CID 82153029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).