N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide

C12H23NO2 — CID 118259978

IUPACN-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide
SMILESCCC1OC(C)C(NC(C)=O)C(C)C1C
InChIInChI=1S/C12H23NO2/c1-6-11-7(2)8(3)12(9(4)15-11)13-10(5)14/h7-9,11-12H,6H2,1-5H3,(H,13,14)
InChIKeyBVYNJWFCYNHLSZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds2

About N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide

N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide (PubChem CID 118259978) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide
PubChem CID118259978
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide
SMILESCCC1OC(C)C(NC(C)=O)C(C)C1C
InChIInChI=1S/C12H23NO2/c1-6-11-7(2)8(3)12(9(4)15-11)13-10(5)14/h7-9,11-12H,6H2,1-5H3,(H,13,14)
InChIKeyBVYNJWFCYNHLSZ-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide?
The IUPAC name of N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide (CID 118259978) is N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide.
What is the SMILES notation for N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide?
The canonical SMILES for N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide is CCC1OC(C)C(NC(C)=O)C(C)C1C.
What is the InChIKey of N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide?
The InChIKey is BVYNJWFCYNHLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-11-7(2)8(3)12(9(4)15-11)13-10(5)14/h7-9,11-12H,6H2,1-5H3,(H,13,14).
What are the key properties of N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide?
N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide is sourced from PubChem (CID 118259978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).