(E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide

C16H15N3O2 — CID 135471534

IUPAC(E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C16H15N3O2/c1-12-2-4-13(5-3-12)18-16(21)10-11-17-19-14-6-8-15(20)9-7-14/h2-11,20H,1H3,(H,18,21)/b11-10+,19-17+
InChIKeyNSDIIVRMLUAKIL-CQTZYQKASA-N
MW281.31 g/mol
LogP3.94
Rot. Bonds4

About (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide

(E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide (PubChem CID 135471534) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide
PubChem CID135471534
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C16H15N3O2/c1-12-2-4-13(5-3-12)18-16(21)10-11-17-19-14-6-8-15(20)9-7-14/h2-11,20H,1H3,(H,18,21)/b11-10+,19-17+
InChIKeyNSDIIVRMLUAKIL-CQTZYQKASA-N
XLogP3.94
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_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 (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide (CID 135471534) is (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is NSDIIVRMLUAKIL-CQTZYQKASA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-2-4-13(5-3-12)18-16(21)10-11-17-19-14-6-8-15(20)9-7-14/h2-11,20H,1H3,(H,18,21)/b11-10+,19-17+.
What are the key properties of (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide?
(E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 281.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(4-hydroxyphenyl)diazenyl]-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 135471534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).