N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide

C21H24N2O3 — CID 4513389

IUPACN'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)C1CCCCC1
InChIInChI=1S/C21H24N2O3/c24-20(22-23-21(25)18-9-5-2-6-10-18)15-26-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,22,24)(H,23,25)
InChIKeyRMMONUJNPRSNEG-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.46
Rot. Bonds5

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

N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide (PubChem CID 4513389) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
PubChem CID4513389
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)C1CCCCC1
InChIInChI=1S/C21H24N2O3/c24-20(22-23-21(25)18-9-5-2-6-10-18)15-26-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,22,24)(H,23,25)
InChIKeyRMMONUJNPRSNEG-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.46
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-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
CID 1294961
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 54786447
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide
CID 4507619
N-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]cyclohexanecarboxamide
CID 155811692

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide (CID 4513389) is N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide is O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide?
The InChIKey is RMMONUJNPRSNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(22-23-21(25)18-9-5-2-6-10-18)15-26-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide?
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide has a molecular weight of 352.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 4513389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).