N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide

C13H25NO3 — CID 58298704

IUPACN-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide
SMILESCCC1OC(OC)C(N(C)C(C)=O)C(C)C1C
InChIInChI=1S/C13H25NO3/c1-7-11-8(2)9(3)12(13(16-6)17-11)14(5)10(4)15/h8-9,11-13H,7H2,1-6H3
InChIKeyGNGULZDUZTWEJW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.89
Rot. Bonds3

About N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide

N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide (PubChem CID 58298704) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide
PubChem CID58298704
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide
SMILESCCC1OC(OC)C(N(C)C(C)=O)C(C)C1C
InChIInChI=1S/C13H25NO3/c1-7-11-8(2)9(3)12(13(16-6)17-11)14(5)10(4)15/h8-9,11-13H,7H2,1-6H3
InChIKeyGNGULZDUZTWEJW-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2R,3R,4R,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11130066
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 575303
(4,5-diacetyloxy-2-ethyl-6-methoxyoxan-3-yl) acetate
CID 54172413
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
(3R,4S,6S)-5-[ethyl(methyl)amino]-2-(hydroxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 167334563
(6-ethyl-3-(18F)fluoro-4,5-dimethyloxan-2-yl) acetate
CID 71289777
N-[6-ethyl-4,5-dimethyl-2-[4,4,5-trimethyl-2-(2,3,4,5,6-pentamethylcyclohexyl)oxyoxolan-3-yl]oxyoxan-3-yl]-N-methylpropanamide
CID 91036488
6-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyhexan-2-one
CID 155642872
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide
CID 118527120

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide?
The IUPAC name of N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide (CID 58298704) is N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide?
The canonical SMILES for N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide is CCC1OC(OC)C(N(C)C(C)=O)C(C)C1C.
What is the InChIKey of N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide?
The InChIKey is GNGULZDUZTWEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-7-11-8(2)9(3)12(13(16-6)17-11)14(5)10(4)15/h8-9,11-13H,7H2,1-6H3.
What are the key properties of N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide?
N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide has a molecular weight of 243.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide is sourced from PubChem (CID 58298704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).