2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid

C18H26N2O3 — CID 175133593

IUPAC2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid
SMILESCC(=O)N(Nc1ccccc1C(=O)O)C1(C)CCCCC1(C)C
InChIInChI=1S/C18H26N2O3/c1-13(21)20(18(4)12-8-7-11-17(18,2)3)19-15-10-6-5-9-14(15)16(22)23/h5-6,9-10,19H,7-8,11-12H2,1-4H3,(H,22,23)
InChIKeyFWZDKHUMYAKOJF-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.92
Rot. Bonds4

About 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid

2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid (PubChem CID 175133593) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid
PubChem CID175133593
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid
SMILESCC(=O)N(Nc1ccccc1C(=O)O)C1(C)CCCCC1(C)C
InChIInChI=1S/C18H26N2O3/c1-13(21)20(18(4)12-8-7-11-17(18,2)3)19-15-10-6-5-9-14(15)16(22)23/h5-6,9-10,19H,7-8,11-12H2,1-4H3,(H,22,23)
InChIKeyFWZDKHUMYAKOJF-UHFFFAOYSA-N
XLogP3.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.92
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

2-[[2-(1,2,2-trimethylcyclohexyl)acetyl]amino]benzoic acid
CID 175270088
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]benzoic acid
CID 65242547
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
CID 170843062
CID 170843062
2-[(2,2-dimethylcyclohexyl)carbamoylamino]benzoic acid
CID 79870220
(1,2,2-trimethylcyclohexyl) 2-acetamidobenzoate
CID 23371188
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
2-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538368
2-amino-3-[(2-methyloxolan-2-yl)methylamino]benzoic acid
CID 115546585
CID 66717184
CID 66717184
2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 79848111
2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
CID 11747408

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid?
The IUPAC name of 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid (CID 175133593) is 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid?
The canonical SMILES for 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid is CC(=O)N(Nc1ccccc1C(=O)O)C1(C)CCCCC1(C)C.
What is the InChIKey of 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid?
The InChIKey is FWZDKHUMYAKOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(21)20(18(4)12-8-7-11-17(18,2)3)19-15-10-6-5-9-14(15)16(22)23/h5-6,9-10,19H,7-8,11-12H2,1-4H3,(H,22,23).
What are the key properties of 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid?
2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyl-2-(1,2,2-trimethylcyclohexyl)hydrazinyl]benzoic acid is sourced from PubChem (CID 175133593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).