N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide

C13H22N2O3 — CID 164710930

IUPACN'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide
SMILESCOC1CC(C(=O)NNC(=O)C2CCCCC2)C1
InChIInChI=1S/C13H22N2O3/c1-18-11-7-10(8-11)13(17)15-14-12(16)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyVPVGKKUZUSITKS-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.14
Rot. Bonds3

About N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide

N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide (PubChem CID 164710930) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide
PubChem CID164710930
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide
SMILESCOC1CC(C(=O)NNC(=O)C2CCCCC2)C1
InChIInChI=1S/C13H22N2O3/c1-18-11-7-10(8-11)13(17)15-14-12(16)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyVPVGKKUZUSITKS-UHFFFAOYSA-N
XLogP1.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.14
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'-hydroxycyclohexanecarbohydrazide
CID 151692012
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
tert-butyl N-(cyclododecanecarbonylamino)carbamate
CID 175503254
ethane;methyl cyclohexanecarboxylate
CID 90871014
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263
N-methoxycyclopentanecarboxamide
CID 59130435
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide
CID 171722184
N'-acetylcyclopropanecarbohydrazide
CID 118429111
cis-[(1R,3R)-3-methoxycyclohexanecarbonyl] (1S,3R)-3-methoxycyclohexane-1-carboxylate
CID 125113199
carbonyl difluoride;methoxycyclohexane
CID 158973981
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide?
The IUPAC name of N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide (CID 164710930) is N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide.
What is the SMILES notation for N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide?
The canonical SMILES for N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide is COC1CC(C(=O)NNC(=O)C2CCCCC2)C1.
What is the InChIKey of N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide?
The InChIKey is VPVGKKUZUSITKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-11-7-10(8-11)13(17)15-14-12(16)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide?
N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide has a molecular weight of 254.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxycyclobutanecarbonyl)cyclohexanecarbohydrazide is sourced from PubChem (CID 164710930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).