N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide

C18H18N6O3 — CID 55333176

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2-n2cnnn2)c1
InChIInChI=1S/C18H18N6O3/c1-12-7-8-13(2)16(9-12)27-10-17(25)20-21-18(26)14-5-3-4-6-15(14)24-11-19-22-23-24/h3-9,11H,10H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyGQYUMXIXOWZRDU-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.12
Rot. Bonds5

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide (PubChem CID 55333176) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide
PubChem CID55333176
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2-n2cnnn2)c1
InChIInChI=1S/C18H18N6O3/c1-12-7-8-13(2)16(9-12)27-10-17(25)20-21-18(26)14-5-3-4-6-15(14)24-11-19-22-23-24/h3-9,11H,10H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyGQYUMXIXOWZRDU-UHFFFAOYSA-N
XLogP1.12
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 35819656
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide
CID 55405796
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
CID 3442692
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 35819941
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide (CID 55333176) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2-n2cnnn2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide?
The InChIKey is GQYUMXIXOWZRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-12-7-8-13(2)16(9-12)27-10-17(25)20-21-18(26)14-5-3-4-6-15(14)24-11-19-22-23-24/h3-9,11H,10H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide has a molecular weight of 366.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(tetrazol-1-yl)benzohydrazide is sourced from PubChem (CID 55333176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).