N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide

C18H20N2O3 — CID 965967

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-15(9-12)18(22)20-19-17(21)11-23-16-10-13(2)7-8-14(16)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXFOCWONOAMLXPE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.45
Rot. Bonds4

About N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide (PubChem CID 965967) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
PubChem CID965967
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-15(9-12)18(22)20-19-17(21)11-23-16-10-13(2)7-8-14(16)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXFOCWONOAMLXPE-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide
CID 27569057
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 55566297
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
methyl 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175383
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide
CID 7780022

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide (CID 965967) is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)COc2cc(C)ccc2C)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide?
The InChIKey is XFOCWONOAMLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-4-6-15(9-12)18(22)20-19-17(21)11-23-16-10-13(2)7-8-14(16)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide is sourced from PubChem (CID 965967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).