N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide

C11H21NO4 — CID 162903050

IUPACN-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide
SMILESCOC1CC(OC)C(N(C)C(C)=O)C(C)O1
InChIInChI=1S/C11H21NO4/c1-7-11(12(3)8(2)13)9(14-4)6-10(15-5)16-7/h7,9-11H,6H2,1-5H3
InChIKeyDEOXZKRLUAPGRF-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.63
Rot. Bonds3

About N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide

N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide (PubChem CID 162903050) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide
PubChem CID162903050
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide
SMILESCOC1CC(OC)C(N(C)C(C)=O)C(C)O1
InChIInChI=1S/C11H21NO4/c1-7-11(12(3)8(2)13)9(14-4)6-10(15-5)16-7/h7,9-11H,6H2,1-5H3
InChIKeyDEOXZKRLUAPGRF-UHFFFAOYSA-N
XLogP0.63
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide?
The IUPAC name of N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide (CID 162903050) is N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide?
The canonical SMILES for N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide is COC1CC(OC)C(N(C)C(C)=O)C(C)O1.
What is the InChIKey of N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide?
The InChIKey is DEOXZKRLUAPGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7-11(12(3)8(2)13)9(14-4)6-10(15-5)16-7/h7,9-11H,6H2,1-5H3.
What are the key properties of N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide?
N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide has a molecular weight of 231.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-2-methyloxan-3-yl)-N-methylacetamide is sourced from PubChem (CID 162903050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).