N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide

C18H16N6O — CID 155517964

IUPACN-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccccc1
InChIInChI=1S/C18H16N6O/c25-18(21-19-13-16-9-5-2-6-10-16)14-24-22-17(20-23-24)12-11-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,25)/b12-11+,19-13+
InChIKeyQRUNJHHEQKQRNB-DUPDGBOPSA-N
MW332.37 g/mol
LogP1.99
Rot. Bonds6

About N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide

N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide (PubChem CID 155517964) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
PubChem CID155517964
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccccc1
InChIInChI=1S/C18H16N6O/c25-18(21-19-13-16-9-5-2-6-10-16)14-24-22-17(20-23-24)12-11-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,25)/b12-11+,19-13+
InChIKeyQRUNJHHEQKQRNB-DUPDGBOPSA-N
XLogP1.99
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 6884569
2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide
CID 6884647
2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6884485
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
CID 6884642
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
CID 6884689
N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
CID 155529493
N-[(E)-(2-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
CID 155536034
2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide
CID 155542685
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
CID 155557770
5-Phenyltetrazol-2-ylethanoic acid amide
CID 716620
2-(5-phenyl-2H-tetraazol-2-yl)-N'-[2-(trifluoromethyl)benzylidene]acetohydrazide
CID 6872090
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 9713695

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide (CID 155517964) is N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The InChIKey is QRUNJHHEQKQRNB-DUPDGBOPSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18(21-19-13-16-9-5-2-6-10-16)14-24-22-17(20-23-24)12-11-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,25)/b12-11+,19-13+.
What are the key properties of N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide has a molecular weight of 332.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 155517964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).