N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide

C10H19NO4 — CID 123131923

IUPACN-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide
SMILESCO[C@H]1C[C@H](NC(C)=O)[C@@H](OC)[C@H](C)O1
InChIInChI=1S/C10H19NO4/c1-6-10(14-4)8(11-7(2)12)5-9(13-3)15-6/h6,8-10H,5H2,1-4H3,(H,11,12)/t6-,8-,9+,10-/m0/s1
InChIKeyPGSIHDSKVOAAMT-MCNGFCJOSA-N
MW217.26 g/mol
LogP0.29
Rot. Bonds3

About N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide

N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide (PubChem CID 123131923) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide
PubChem CID123131923
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide
SMILESCO[C@H]1C[C@H](NC(C)=O)[C@@H](OC)[C@H](C)O1
InChIInChI=1S/C10H19NO4/c1-6-10(14-4)8(11-7(2)12)5-9(13-3)15-6/h6,8-10H,5H2,1-4H3,(H,11,12)/t6-,8-,9+,10-/m0/s1
InChIKeyPGSIHDSKVOAAMT-MCNGFCJOSA-N
XLogP0.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide (CID 123131923) is N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide is CO[C@H]1C[C@H](NC(C)=O)[C@@H](OC)[C@H](C)O1.
What is the InChIKey of N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide?
The InChIKey is PGSIHDSKVOAAMT-MCNGFCJOSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-10(14-4)8(11-7(2)12)5-9(13-3)15-6/h6,8-10H,5H2,1-4H3,(H,11,12)/t6-,8-,9+,10-/m0/s1.
What are the key properties of N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide?
N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide has a molecular weight of 217.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,6R)-3,6-dimethoxy-2-methyloxan-4-yl]acetamide is sourced from PubChem (CID 123131923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).