(Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide

C17H15N3O2 — CID 7345014

IUPAC(Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H15N3O2/c1-12-5-7-14(8-6-12)20-17(22)13(10-18)11-19-15-3-2-4-16(21)9-15/h2-9,11,19,21H,1H3,(H,20,22)/b13-11-
InChIKeyMEYPNBJPEFZFGB-QBFSEMIESA-N
MW293.33 g/mol
LogP3.16
Rot. Bonds4

About (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 7345014) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide
PubChem CID7345014
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H15N3O2/c1-12-5-7-14(8-6-12)20-17(22)13(10-18)11-19-15-3-2-4-16(21)9-15/h2-9,11,19,21H,1H3,(H,20,22)/b13-11-
InChIKeyMEYPNBJPEFZFGB-QBFSEMIESA-N
XLogP3.16
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.16
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide (CID 7345014) is (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\Nc2cccc(O)c2)cc1.
What is the InChIKey of (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is MEYPNBJPEFZFGB-QBFSEMIESA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-5-7-14(8-6-12)20-17(22)13(10-18)11-19-15-3-2-4-16(21)9-15/h2-9,11,19,21H,1H3,(H,20,22)/b13-11-.
What are the key properties of (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3-hydroxyanilino)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 7345014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).