N-methyl-N-(oxan-4-ylmethyl)acetamide

C9H17NO2 — CID 58376775

IUPACN-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C9H17NO2/c1-8(11)10(2)7-9-3-5-12-6-4-9/h9H,3-7H2,1-2H3
InChIKeyJMCGQBJZXVFBBE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About N-methyl-N-(oxan-4-ylmethyl)acetamide

N-methyl-N-(oxan-4-ylmethyl)acetamide (PubChem CID 58376775) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)acetamide
PubChem CID58376775
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C9H17NO2/c1-8(11)10(2)7-9-3-5-12-6-4-9/h9H,3-7H2,1-2H3
InChIKeyJMCGQBJZXVFBBE-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)acetamide (CID 58376775) is N-methyl-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)acetamide is CC(=O)N(C)CC1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is JMCGQBJZXVFBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)10(2)7-9-3-5-12-6-4-9/h9H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)acetamide?
N-methyl-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 58376775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).