(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide

C17H15N3O2 — CID 108855171

IUPAC(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/NCc1ccccc1)C(=O)Nc1ccccc1O
InChIInChI=1S/C17H15N3O2/c18-10-14(12-19-11-13-6-2-1-3-7-13)17(22)20-15-8-4-5-9-16(15)21/h1-9,12,19,21H,11H2,(H,20,22)/b14-12-
InChIKeyXWAWAOVVMFHXKX-OWBHPGMISA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds5

About (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide

(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide (PubChem CID 108855171) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
PubChem CID108855171
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/NCc1ccccc1)C(=O)Nc1ccccc1O
InChIInChI=1S/C17H15N3O2/c18-10-14(12-19-11-13-6-2-1-3-7-13)17(22)20-15-8-4-5-9-16(15)21/h1-9,12,19,21H,11H2,(H,20,22)/b14-12-
InChIKeyXWAWAOVVMFHXKX-OWBHPGMISA-N
XLogP2.53
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)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-[(4-fluorophenyl)methylamino]-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855349
(Z)-3-[(4-chlorophenyl)methylamino]-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855164
(Z)-3-(benzylamino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108820967
(Z)-2-cyano-3-[(2-fluorophenyl)methylamino]-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855365
(Z)-3-[(2-bromophenyl)methylamino]-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855430
(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108821400
(Z)-2-cyano-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methylphenyl)prop-2-enamide
CID 108821597
3-(benzylamino)-2-cyano-N-ethylprop-2-enamide
CID 71410822
(Z)-3-[2-(3-bromophenyl)ethylamino]-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855446
(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide
CID 56696194
3-[[(Z)-3-(benzylamino)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108816120
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824388

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide (CID 108855171) is (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide is N#C/C(=C/NCc1ccccc1)C(=O)Nc1ccccc1O.
What is the InChIKey of (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide?
The InChIKey is XWAWAOVVMFHXKX-OWBHPGMISA-N. The full InChI is InChI=1S/C17H15N3O2/c18-10-14(12-19-11-13-6-2-1-3-7-13)17(22)20-15-8-4-5-9-16(15)21/h1-9,12,19,21H,11H2,(H,20,22)/b14-12-.
What are the key properties of (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide?
(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 108855171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).