N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide

C11H21NO3 — CID 103849517

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)6-9(13)12-7-11(14)4-5-15-8-11/h14H,4-8H2,1-3H3,(H,12,13)
InChIKeyWWERUFXCWHJAMC-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide

N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 103849517) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
PubChem CID103849517
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)6-9(13)12-7-11(14)4-5-15-8-11/h14H,4-8H2,1-3H3,(H,12,13)
InChIKeyWWERUFXCWHJAMC-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
CID 106102852
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide (CID 103849517) is N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is WWERUFXCWHJAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)6-9(13)12-7-11(14)4-5-15-8-11/h14H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 215.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103849517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).