N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide

C11H21NO2 — CID 175740422

IUPACN-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide
SMILESCCC1OCC(NC(C)=O)C(C)C1C
InChIInChI=1S/C11H21NO2/c1-5-11-8(3)7(2)10(6-14-11)12-9(4)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13)
InChIKeyDPKRWRCFMHRKNZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds2

About N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide

N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide (PubChem CID 175740422) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide
PubChem CID175740422
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide
SMILESCCC1OCC(NC(C)=O)C(C)C1C
InChIInChI=1S/C11H21NO2/c1-5-11-8(3)7(2)10(6-14-11)12-9(4)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13)
InChIKeyDPKRWRCFMHRKNZ-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide?
The IUPAC name of N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide (CID 175740422) is N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide.
What is the SMILES notation for N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide?
The canonical SMILES for N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide is CCC1OCC(NC(C)=O)C(C)C1C.
What is the InChIKey of N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide?
The InChIKey is DPKRWRCFMHRKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-11-8(3)7(2)10(6-14-11)12-9(4)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide?
N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4,5-dimethyloxan-3-yl)acetamide is sourced from PubChem (CID 175740422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).