2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide

C16H24N2O3 — CID 115465265

IUPAC2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
SMILESCOC1CCCC(OCc2ccccc2CC(=O)NN)C1
InChIInChI=1S/C16H24N2O3/c1-20-14-7-4-8-15(10-14)21-11-13-6-3-2-5-12(13)9-16(19)18-17/h2-3,5-6,14-15H,4,7-11,17H2,1H3,(H,18,19)
InChIKeyBBNOTOQASJRCBA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide

2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide (PubChem CID 115465265) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
PubChem CID115465265
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
SMILESCOC1CCCC(OCc2ccccc2CC(=O)NN)C1
InChIInChI=1S/C16H24N2O3/c1-20-14-7-4-8-15(10-14)21-11-13-6-3-2-5-12(13)9-16(19)18-17/h2-3,5-6,14-15H,4,7-11,17H2,1H3,(H,18,19)
InChIKeyBBNOTOQASJRCBA-UHFFFAOYSA-N
XLogP1.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate
CID 115460772
N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine
CID 115465037
2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
CID 107117665
2-[(3-methoxycyclohexyl)oxymethyl]-N-methyl-6-nitroaniline
CID 107352397
2-[2-(pentoxymethyl)phenyl]acetohydrazide
CID 115465239
methyl 2-methyl-6-[[(1R,3S)-3-prop-2-enoxycyclohexyl]oxymethyl]benzoate
CID 58864607
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide
CID 115465739
2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine
CID 106994599
1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide (CID 115465265) is 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide is COC1CCCC(OCc2ccccc2CC(=O)NN)C1.
What is the InChIKey of 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide?
The InChIKey is BBNOTOQASJRCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-14-7-4-8-15(10-14)21-11-13-6-3-2-5-12(13)9-16(19)18-17/h2-3,5-6,14-15H,4,7-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide?
2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide has a molecular weight of 292.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).