N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C18H18N6O2 — CID 135552028

IUPACN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESC/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1cc(C)ccc1O
InChIInChI=1S/C18H18N6O2/c1-12-8-9-16(25)15(10-12)13(2)19-20-17(26)11-24-22-18(21-23-24)14-6-4-3-5-7-14/h3-10,25H,11H2,1-2H3,(H,20,26)/b19-13+
InChIKeyCEPYZYPLRFMWIE-CPNJWEJPSA-N
MW350.38 g/mol
LogP1.89
Rot. Bonds5

About N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 135552028) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID135552028
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESC/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1cc(C)ccc1O
InChIInChI=1S/C18H18N6O2/c1-12-8-9-16(25)15(10-12)13(2)19-20-17(26)11-24-22-18(21-23-24)14-6-4-3-5-7-14/h3-10,25H,11H2,1-2H3,(H,20,26)/b19-13+
InChIKeyCEPYZYPLRFMWIE-CPNJWEJPSA-N
XLogP1.89
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3578555
N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524048
2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135816002
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 8524080
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3688564
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3762135

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 135552028) is N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is C/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1cc(C)ccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is CEPYZYPLRFMWIE-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12-8-9-16(25)15(10-12)13(2)19-20-17(26)11-24-22-18(21-23-24)14-6-4-3-5-7-14/h3-10,25H,11H2,1-2H3,(H,20,26)/b19-13+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 350.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 135552028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).