2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide

C17H26N2O2 — CID 105351589

IUPAC2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide
SMILESCC1(C)CCC(OCc2ccc(CC(=O)NN)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2)9-7-15(8-10-17)21-12-14-5-3-13(4-6-14)11-16(20)19-18/h3-6,15H,7-12,18H2,1-2H3,(H,19,20)
InChIKeyKHNYADURBKWFCT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide

2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide (PubChem CID 105351589) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide
PubChem CID105351589
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide
SMILESCC1(C)CCC(OCc2ccc(CC(=O)NN)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-17(2)9-7-15(8-10-17)21-12-14-5-3-13(4-6-14)11-16(20)19-18/h3-6,15H,7-12,18H2,1-2H3,(H,19,20)
InChIKeyKHNYADURBKWFCT-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
CID 114342641
4-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methoxybenzoic acid
CID 106794169
2-[4-(2-propoxyethoxymethyl)phenyl]acetohydrazide
CID 105351528
[3-[(4,4-dimethylcyclohexyl)oxymethyl]-2-pyridinyl]hydrazine
CID 114342247
5-(cyclobutyloxymethyl)furan-2-carbohydrazide
CID 63568578
2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
CID 105351515
N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457974
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 105344934
4-[(4,4-dimethylcyclohexyl)oxymethyl]pyridin-2-amine
CID 114342212
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555
ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate
CID 122476650

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide (CID 105351589) is 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide is CC1(C)CCC(OCc2ccc(CC(=O)NN)cc2)CC1.
What is the InChIKey of 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide?
The InChIKey is KHNYADURBKWFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)9-7-15(8-10-17)21-12-14-5-3-13(4-6-14)11-16(20)19-18/h3-6,15H,7-12,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide?
2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide has a molecular weight of 290.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).