N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide

C11H21NO3 — CID 104709004

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCOC1(CNC(=O)C(C)(C)C)CCOC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)9(13)12-7-11(14-4)5-6-15-8-11/h5-8H2,1-4H3,(H,12,13)
InChIKeyTVKLRFNQUMWEFT-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds3

About N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide

N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 104709004) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID104709004
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCOC1(CNC(=O)C(C)(C)C)CCOC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)9(13)12-7-11(14-4)5-6-15-8-11/h5-8H2,1-4H3,(H,12,13)
InChIKeyTVKLRFNQUMWEFT-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetrafluoro-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104708935
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 113450296
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537472
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 104762336

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide (CID 104709004) is N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide is COC1(CNC(=O)C(C)(C)C)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is TVKLRFNQUMWEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)9(13)12-7-11(14-4)5-6-15-8-11/h5-8H2,1-4H3,(H,12,13).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 215.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 104709004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).