N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide

C19H18N6O — CID 155529493

IUPACN-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cn2nnc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N6O/c1-15-7-9-17(10-8-15)13-20-22-19(26)14-25-23-18(21-24-25)12-11-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,26)/b12-11+,20-13+
InChIKeyLGXIHDSZYGWSRA-IUTFFREVSA-N
MW346.39 g/mol
LogP2.30
Rot. Bonds6

About N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide

N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide (PubChem CID 155529493) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
PubChem CID155529493
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cn2nnc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N6O/c1-15-7-9-17(10-8-15)13-20-22-19(26)14-25-23-18(21-24-25)12-11-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,26)/b12-11+,20-13+
InChIKeyLGXIHDSZYGWSRA-IUTFFREVSA-N
XLogP2.30
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide (CID 155529493) is N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide is Cc1ccc(/C=N/NC(=O)Cn2nnc(/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
The InChIKey is LGXIHDSZYGWSRA-IUTFFREVSA-N. The full InChI is InChI=1S/C19H18N6O/c1-15-7-9-17(10-8-15)13-20-22-19(26)14-25-23-18(21-24-25)12-11-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,26)/b12-11+,20-13+.
What are the key properties of N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide?
N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylphenyl)methylideneamino]-2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 155529493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).