N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C22H26N6O2 — CID 7929860

IUPACN-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCCCCCOc1ccc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H26N6O2/c1-2-3-4-8-15-30-20-13-11-18(12-14-20)16-23-24-21(29)17-28-26-22(25-27-28)19-9-6-5-7-10-19/h5-7,9-14,16H,2-4,8,15,17H2,1H3,(H,24,29)/b23-16-
InChIKeyVJTXPAUXGZJIJG-KQWNVCNZSA-N
MW406.49 g/mol
LogP3.45
Rot. Bonds11

About N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 7929860) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID7929860
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCCCCCOc1ccc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H26N6O2/c1-2-3-4-8-15-30-20-13-11-18(12-14-20)16-23-24-21(29)17-28-26-22(25-27-28)19-9-6-5-7-10-19/h5-7,9-14,16H,2-4,8,15,17H2,1H3,(H,24,29)/b23-16-
InChIKeyVJTXPAUXGZJIJG-KQWNVCNZSA-N
XLogP3.45
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3964614
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524149
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
3-(4,5-diphenylimidazol-1-yl)-N-[(E)-(4-octoxyphenyl)methylideneamino]propanamide
CID 17028298
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3688564
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 7929860) is N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is CCCCCCOc1ccc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is VJTXPAUXGZJIJG-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-2-3-4-8-15-30-20-13-11-18(12-14-20)16-23-24-21(29)17-28-26-22(25-27-28)19-9-6-5-7-10-19/h5-7,9-14,16H,2-4,8,15,17H2,1H3,(H,24,29)/b23-16-.
What are the key properties of N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 7929860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).