N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide

C17H15N5O2 — CID 172988377

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H15N5O2/c23-15-8-6-13(7-9-15)10-18-20-17(24)12-22-11-16(19-21-22)14-4-2-1-3-5-14/h1-11,23H,12H2,(H,20,24)/b18-10+
InChIKeyKNKCZZWZTLGGMU-VCHYOVAHSA-N
MW321.34 g/mol
LogP1.80
Rot. Bonds5

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide (PubChem CID 172988377) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide
PubChem CID172988377
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H15N5O2/c23-15-8-6-13(7-9-15)10-18-20-17(24)12-22-11-16(19-21-22)14-4-2-1-3-5-14/h1-11,23H,12H2,(H,20,24)/b18-10+
InChIKeyKNKCZZWZTLGGMU-VCHYOVAHSA-N
XLogP1.80
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 922567
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135603269
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
CID 138373884
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 135572062
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
N-[(E)-benzylideneamino]-2-[4-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetamide
CID 162478351
3-(benzotriazol-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136721169
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide (CID 172988377) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide is O=C(Cn1cc(-c2ccccc2)nn1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide?
The InChIKey is KNKCZZWZTLGGMU-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-15-8-6-13(7-9-15)10-18-20-17(24)12-22-11-16(19-21-22)14-4-2-1-3-5-14/h1-11,23H,12H2,(H,20,24)/b18-10+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide has a molecular weight of 321.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 172988377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).