4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide

C18H25N3O5 — CID 34060563

IUPAC4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
SMILESO=C(CCCC1CCCCC1)NNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H25N3O5/c22-17(12-6-9-14-7-2-1-3-8-14)19-20-18(23)13-26-16-11-5-4-10-15(16)21(24)25/h4-5,10-11,14H,1-3,6-9,12-13H2,(H,19,22)(H,20,23)
InChIKeyMNHIJFZHTYPEGO-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.87
Rot. Bonds8

About 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide

4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide (PubChem CID 34060563) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
PubChem CID34060563
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
SMILESO=C(CCCC1CCCCC1)NNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H25N3O5/c22-17(12-6-9-14-7-2-1-3-8-14)19-20-18(23)13-26-16-11-5-4-10-15(16)21(24)25/h4-5,10-11,14H,1-3,6-9,12-13H2,(H,19,22)(H,20,23)
InChIKeyMNHIJFZHTYPEGO-UHFFFAOYSA-N
XLogP2.87
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide
CID 9470008
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CID 17357929
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
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N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4931286
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
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CID 7978371
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
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N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
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N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
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N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-nitrophenoxy)acetamide
CID 62520470
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide?
The IUPAC name of 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide (CID 34060563) is 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide.
What is the SMILES notation for 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide?
The canonical SMILES for 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide is O=C(CCCC1CCCCC1)NNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide?
The InChIKey is MNHIJFZHTYPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c22-17(12-6-9-14-7-2-1-3-8-14)19-20-18(23)13-26-16-11-5-4-10-15(16)21(24)25/h4-5,10-11,14H,1-3,6-9,12-13H2,(H,19,22)(H,20,23).
What are the key properties of 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide?
4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide has a molecular weight of 363.41 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 34060563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).