N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide

C19H28N2O3 — CID 17050921

IUPACN'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
SMILESCC(C)(C)c1ccccc1OCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)15-11-7-8-12-16(15)24-13-17(22)20-21-18(23)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUGZIYRAVGGRQJX-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.09
Rot. Bonds4

About N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide

N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide (PubChem CID 17050921) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
PubChem CID17050921
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
SMILESCC(C)(C)c1ccccc1OCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)15-11-7-8-12-16(15)24-13-17(22)20-21-18(23)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUGZIYRAVGGRQJX-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.09
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'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17051842
2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17051386
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide
CID 24538359
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17050964
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
N'-[4-(2-ethoxyphenoxy)butanoyl]cyclohexanecarbohydrazide
CID 9327136

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide (CID 17050921) is N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide is CC(C)(C)c1ccccc1OCC(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide?
The InChIKey is UGZIYRAVGGRQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)15-11-7-8-12-16(15)24-13-17(22)20-21-18(23)14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide?
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide has a molecular weight of 332.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 17050921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).