2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide

C12H23NO3 — CID 75439893

IUPAC2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide
SMILESCOCC(=O)N(CC1CCCCO1)C(C)C
InChIInChI=1S/C12H23NO3/c1-10(2)13(12(14)9-15-3)8-11-6-4-5-7-16-11/h10-11H,4-9H2,1-3H3
InChIKeyACNCMCIAIIEOOC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds5

About 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide

2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide (PubChem CID 75439893) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide
PubChem CID75439893
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide
SMILESCOCC(=O)N(CC1CCCCO1)C(C)C
InChIInChI=1S/C12H23NO3/c1-10(2)13(12(14)9-15-3)8-11-6-4-5-7-16-11/h10-11H,4-9H2,1-3H3
InChIKeyACNCMCIAIIEOOC-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide (CID 75439893) is 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide is COCC(=O)N(CC1CCCCO1)C(C)C.
What is the InChIKey of 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide?
The InChIKey is ACNCMCIAIIEOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)13(12(14)9-15-3)8-11-6-4-5-7-16-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide?
2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide has a molecular weight of 229.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxan-2-ylmethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 75439893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).