N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide

C19H27BrN2O3 — CID 17051842

IUPACN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C19H27BrN2O3/c1-19(2,3)15-11-14(20)9-10-16(15)25-12-17(23)21-22-18(24)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAHUAWPSYJDUEFJ-UHFFFAOYSA-N
MW411.34 g/mol
LogP3.85
Rot. Bonds4

About N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide

N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide (PubChem CID 17051842) has the molecular formula C19H27BrN2O3 and a molecular weight of 411.34 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
PubChem CID17051842
Molecular FormulaC19H27BrN2O3
Molecular Weight411.34 g/mol
Exact Mass410.12
IUPAC NameN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C19H27BrN2O3/c1-19(2,3)15-11-14(20)9-10-16(15)25-12-17(23)21-22-18(24)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAHUAWPSYJDUEFJ-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 53.85
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-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17051639
2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17357144
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17350317
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 17051597
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 17051826
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
CID 17080403
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide (CID 17051842) is N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide is CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide?
The InChIKey is AHUAWPSYJDUEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O3/c1-19(2,3)15-11-14(20)9-10-16(15)25-12-17(23)21-22-18(24)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide?
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide has a molecular weight of 411.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 17051842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).