N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide

C10H17NO3 — CID 91355136

IUPACN-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(C)C(C=O)C1CCCCO1
InChIInChI=1S/C10H17NO3/c1-8(13)11(2)9(7-12)10-5-3-4-6-14-10/h7,9-10H,3-6H2,1-2H3
InChIKeyKCAHNGHICYHGPB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.60
Rot. Bonds3

About N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide

N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide (PubChem CID 91355136) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide
PubChem CID91355136
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(C)C(C=O)C1CCCCO1
InChIInChI=1S/C10H17NO3/c1-8(13)11(2)9(7-12)10-5-3-4-6-14-10/h7,9-10H,3-6H2,1-2H3
InChIKeyKCAHNGHICYHGPB-UHFFFAOYSA-N
XLogP0.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-(oxan-2-yl)hexan-2-one
CID 176760505
3-methyl-1-(oxan-2-yl)but-2-en-1-amine
CID 105004859
3-hydroxy-2-methyl-3-(oxan-2-yl)propanoic acid
CID 67731056
bis(oxan-2-yl)methanol
CID 173021788
2-fluoro-2-(oxan-2-yl)acetic acid
CID 105431817
[(1S)-1-[(2S)-oxan-2-yl]prop-2-ynyl] acetate
CID 10797506
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
2-(oxolan-2-yl)butanal
CID 84716261
[2-hydroxy-1-(oxolan-2-yl)ethyl] acetate
CID 121404223
2-(dimethoxymethyl)oxane
CID 101048405
[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide (CID 91355136) is N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide is CC(=O)N(C)C(C=O)C1CCCCO1.
What is the InChIKey of N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide?
The InChIKey is KCAHNGHICYHGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(13)11(2)9(7-12)10-5-3-4-6-14-10/h7,9-10H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide?
N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide has a molecular weight of 199.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(oxan-2-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 91355136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).