N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide

C19H28N2O3 — CID 2965045

IUPACN'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-3-14(2)15-9-11-17(12-10-15)24-13-18(22)20-21-19(23)16-7-5-4-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWGUXBDGSPQWIIH-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.31
Rot. Bonds6

About N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide

N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide (PubChem CID 2965045) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
PubChem CID2965045
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
SMILESCCC(C)c1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-3-14(2)15-9-11-17(12-10-15)24-13-18(22)20-21-19(23)16-7-5-4-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWGUXBDGSPQWIIH-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.31
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-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
cis-(1R,2S)-2-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 17369998
cis-(1S,2R)-2-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylate
CID 11898304
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
2-(4-butan-2-ylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18165423
N'-[2-(4-butan-2-ylphenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
CID 17179188

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide (CID 2965045) is N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide is CCC(C)c1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide?
The InChIKey is WGUXBDGSPQWIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-14(2)15-9-11-17(12-10-15)24-13-18(22)20-21-19(23)16-7-5-4-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide?
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide has a molecular weight of 332.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 2965045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).