2-methoxy-N-(oxan-4-ylmethyl)acetamide

C9H17NO3 — CID 62327940

IUPAC2-methoxy-N-(oxan-4-ylmethyl)acetamide
SMILESCOCC(=O)NCC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-12-7-9(11)10-6-8-2-4-13-5-3-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeySDIZFQMAESYZOX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.18
Rot. Bonds4

About 2-methoxy-N-(oxan-4-ylmethyl)acetamide

2-methoxy-N-(oxan-4-ylmethyl)acetamide (PubChem CID 62327940) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methoxy-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(oxan-4-ylmethyl)acetamide
PubChem CID62327940
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methoxy-N-(oxan-4-ylmethyl)acetamide
SMILESCOCC(=O)NCC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-12-7-9(11)10-6-8-2-4-13-5-3-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeySDIZFQMAESYZOX-UHFFFAOYSA-N
XLogP0.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-methoxy-N-(oxan-4-ylmethyl)acetamide (CID 62327940) is 2-methoxy-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-methoxy-N-(oxan-4-ylmethyl)acetamide is COCC(=O)NCC1CCOCC1.
What is the InChIKey of 2-methoxy-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is SDIZFQMAESYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-7-9(11)10-6-8-2-4-13-5-3-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of 2-methoxy-N-(oxan-4-ylmethyl)acetamide?
2-methoxy-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 187.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 62327940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).