4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide

C19H28N2O3 — CID 9470008

IUPAC4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)CCCC1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-15-8-5-6-12-17(15)24-14-19(23)21-20-18(22)13-7-11-16-9-3-2-4-10-16/h5-6,8,12,16H,2-4,7,9-11,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyICJDQDROEZFOTR-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.27
Rot. Bonds7

About 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide

4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide (PubChem CID 9470008) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide
PubChem CID9470008
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)CCCC1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-15-8-5-6-12-17(15)24-14-19(23)21-20-18(22)13-7-11-16-9-3-2-4-10-16/h5-6,8,12,16H,2-4,7,9-11,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyICJDQDROEZFOTR-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.27
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

3-cyclohexyl-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]propanamide
CID 4934778
4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
CID 34060563
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978371
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
CID 9275952
N'-(4-cyclohexylbutanoyl)-4-fluorobenzohydrazide
CID 9340834
(E)-4-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6171221
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108539833

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide?
The IUPAC name of 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide (CID 9470008) is 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide.
What is the SMILES notation for 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide?
The canonical SMILES for 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide is Cc1ccccc1OCC(=O)NNC(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide?
The InChIKey is ICJDQDROEZFOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-8-5-6-12-17(15)24-14-19(23)21-20-18(22)13-7-11-16-9-3-2-4-10-16/h5-6,8,12,16H,2-4,7,9-11,13-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide?
4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide has a molecular weight of 332.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 9470008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).