N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide

C9H17NO4 — CID 118527120

IUPACN-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide
SMILESCCC1OC(N(C)C(C)=O)C(O)C1O
InChIInChI=1S/C9H17NO4/c1-4-6-7(12)8(13)9(14-6)10(3)5(2)11/h6-9,12-13H,4H2,1-3H3
InChIKeyZGLVOVAGTDCDGX-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.68
Rot. Bonds2

About N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide

N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide (PubChem CID 118527120) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide
PubChem CID118527120
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide
SMILESCCC1OC(N(C)C(C)=O)C(O)C1O
InChIInChI=1S/C9H17NO4/c1-4-6-7(12)8(13)9(14-6)10(3)5(2)11/h6-9,12-13H,4H2,1-3H3
InChIKeyZGLVOVAGTDCDGX-UHFFFAOYSA-N
XLogP-0.68
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide
CID 54363629
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
CID 138718011
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide
CID 58298704
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
2-ethyl-5-sulfanyloxolane-3,4-diol
CID 130303244

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide?
The IUPAC name of N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide (CID 118527120) is N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide?
The canonical SMILES for N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide is CCC1OC(N(C)C(C)=O)C(O)C1O.
What is the InChIKey of N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide?
The InChIKey is ZGLVOVAGTDCDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-6-7(12)8(13)9(14-6)10(3)5(2)11/h6-9,12-13H,4H2,1-3H3.
What are the key properties of N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide?
N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide has a molecular weight of 203.24 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide is sourced from PubChem (CID 118527120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).