N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide

C19H22N2O4 — CID 4931604

IUPACN'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C19H22N2O4/c1-3-11-24-17-10-5-4-9-16(17)19(23)21-20-18(22)13-25-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXFULMLFKUZTAPN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.62
Rot. Bonds7

About N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide

N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide (PubChem CID 4931604) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
PubChem CID4931604
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C19H22N2O4/c1-3-11-24-17-10-5-4-9-16(17)19(23)21-20-18(22)13-25-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXFULMLFKUZTAPN-UHFFFAOYSA-N
XLogP2.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.62
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-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-propoxybenzamide
CID 4949293
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
2-(3-methylbutoxy)-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4944753
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4946159
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(2-ethoxyethoxy)benzohydrazide
CID 17122823

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide (CID 4931604) is N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide is CCCOc1ccccc1C(=O)NNC(=O)COc1cccc(C)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide?
The InChIKey is XFULMLFKUZTAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-11-24-17-10-5-4-9-16(17)19(23)21-20-18(22)13-25-15-8-6-7-14(2)12-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide?
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide is sourced from PubChem (CID 4931604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).