N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H23NO3 — CID 103944930

IUPACN-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC1(NC(=O)COC(C)(C)C)CCCOC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)16-8-10(14)13-12(4)6-5-7-15-9-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyANNJMEWUIKRACB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds3

About N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103944930) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103944930
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC1(NC(=O)COC(C)(C)C)CCCOC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)16-8-10(14)13-12(4)6-5-7-15-9-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyANNJMEWUIKRACB-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-methyl-N-(3-methyloxan-3-yl)propanamide
CID 130562158
5-(2-Methylpropyl)-5-propan-2-ylmorpholin-3-one
CID 58238921
N-[2,5-dimethyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]acetamide
CID 135278919
N-[2,5-dimethyl-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexan-2-yl]-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetamide
CID 135279168
CID 156710219
CID 156710219
5,5,7-Trimethyl-1,4-oxazocan-3-one
CID 156710220
N-(2-methylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 49365405
2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)acetamide
CID 65051439
2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide
CID 65051812
2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide
CID 65051871
2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide
CID 65052091
2-methoxy-2-methyl-N-(2-methylpentan-2-yl)propanamide
CID 103029282

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103944930) is N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC1(NC(=O)COC(C)(C)C)CCCOC1.
What is the InChIKey of N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is ANNJMEWUIKRACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)16-8-10(14)13-12(4)6-5-7-15-9-12/h5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103944930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).