N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide

C13H25NO2 — CID 167749080

IUPACN-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
SMILESCC(C)(C)C(C)(C)NC(=O)C1CCCOC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)13(4,5)14-11(15)10-7-6-8-16-9-10/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyZTSLJEXNKSEVKU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds2

About N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide

N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide (PubChem CID 167749080) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
PubChem CID167749080
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
SMILESCC(C)(C)C(C)(C)NC(=O)C1CCCOC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)13(4,5)14-11(15)10-7-6-8-16-9-10/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyZTSLJEXNKSEVKU-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
CID 62759574
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
methyl (3R)-oxane-3-carboxylate
CID 86306897
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756
N-(2-hydroxy-2,4-dimethylpentyl)oxane-3-carboxamide
CID 66181259
oxepane-3-carbohydrazide
CID 84650776
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
N-(4-hydroxy-2-methylbutan-2-yl)oxolane-3-carboxamide
CID 115869901
(3R)-oxane-3-carboxylic acid
CID 42554318
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide?
The IUPAC name of N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide (CID 167749080) is N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide?
The canonical SMILES for N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide is CC(C)(C)C(C)(C)NC(=O)C1CCCOC1.
What is the InChIKey of N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide?
The InChIKey is ZTSLJEXNKSEVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)13(4,5)14-11(15)10-7-6-8-16-9-10/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide?
N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide is sourced from PubChem (CID 167749080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).