N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide

C10H17NO2 — CID 178163746

IUPACN-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide
SMILESCCCC(=O)NC12COC(C)(C1)C2
InChIInChI=1S/C10H17NO2/c1-3-4-8(12)11-10-5-9(2,6-10)13-7-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyNRXGGRGRSACIBU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds3

About N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide

N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide (PubChem CID 178163746) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide
PubChem CID178163746
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide
SMILESCCCC(=O)NC12COC(C)(C1)C2
InChIInChI=1S/C10H17NO2/c1-3-4-8(12)11-10-5-9(2,6-10)13-7-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyNRXGGRGRSACIBU-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium
CID 163902878
N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
CID 167084426
N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine
CID 152983655
N-(2-methyloxiran-2-yl)octadecanamide
CID 141168952
2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)acetamide
CID 166147638
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
N-(1-adamantyl)hexanamide
CID 4687392
N-(1-adamantyl)nonanamide
CID 4685611
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide
CID 18996056
N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 129405852
N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
CID 129305066

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide?
The IUPAC name of N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide (CID 178163746) is N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide.
What is the SMILES notation for N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide?
The canonical SMILES for N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide is CCCC(=O)NC12COC(C)(C1)C2.
What is the InChIKey of N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide?
The InChIKey is NRXGGRGRSACIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-8(12)11-10-5-9(2,6-10)13-7-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide?
N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide has a molecular weight of 183.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide is sourced from PubChem (CID 178163746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).