3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide

C19H22N2O3 — CID 9470420

IUPAC3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
SMILESCC(C)CC(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)12-18(22)20-21-19(23)13-24-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDFEBYLDRCFEUME-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.93
Rot. Bonds6

About 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide

3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide (PubChem CID 9470420) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
PubChem CID9470420
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
SMILESCC(C)CC(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)12-18(22)20-21-19(23)13-24-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDFEBYLDRCFEUME-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.93
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

N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate
CID 47985288
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 78771942
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
(2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid
CID 9157386
3-(2-methoxyphenyl)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 9470380
3-ethylsulfanyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 55786556
(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide?
The IUPAC name of 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide (CID 9470420) is 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide?
The canonical SMILES for 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide is CC(C)CC(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide?
The InChIKey is DFEBYLDRCFEUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)12-18(22)20-21-19(23)13-24-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide?
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 9470420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).