N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide

C19H22N2O4 — CID 26845933

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O4/c1-4-24-16-9-7-15(8-10-16)19(23)21-20-18(22)12-25-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySPDAWWXIYGQKGO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.54
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide (PubChem CID 26845933) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
PubChem CID26845933
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O4/c1-4-24-16-9-7-15(8-10-16)19(23)21-20-18(22)12-25-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySPDAWWXIYGQKGO-UHFFFAOYSA-N
XLogP2.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-2-(4-ethoxyphenyl)acetohydrazide
CID 27568812
ethyl 4-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932671
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-4-ethoxybenzohydrazide
CID 9492725
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
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
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide (CID 26845933) is N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide?
The InChIKey is SPDAWWXIYGQKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-24-16-9-7-15(8-10-16)19(23)21-20-18(22)12-25-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide is sourced from PubChem (CID 26845933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).