2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide

C13H23N3O3 — CID 3139316

IUPAC2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
SMILESCC(C)CNC(=O)C(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C13H23N3O3/c1-9(2)8-14-12(18)13(19)16-15-11(17)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyIYRWIBQASZXOSM-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.49
Rot. Bonds3

About 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide

2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide (PubChem CID 3139316) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
PubChem CID3139316
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
SMILESCC(C)CNC(=O)C(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C13H23N3O3/c1-9(2)8-14-12(18)13(19)16-15-11(17)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyIYRWIBQASZXOSM-UHFFFAOYSA-N
XLogP0.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
N'-(2-methylcyclohexyl)-N-(2-methylpropyl)oxamide
CID 108504857
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
N-(2-methylpropylcarbamoyl)cyclopropanecarboxamide
CID 110865956
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24554571

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide?
The IUPAC name of 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide (CID 3139316) is 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide is CC(C)CNC(=O)C(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide?
The InChIKey is IYRWIBQASZXOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)8-14-12(18)13(19)16-15-11(17)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,17)(H,16,19).
What are the key properties of 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide?
2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide has a molecular weight of 269.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide is sourced from PubChem (CID 3139316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).