N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide

C11H21NO3 — CID 114826272

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C)(C)C(C)O)CO1
InChIInChI=1S/C11H21NO3/c1-7-5-9(6-15-7)10(14)12-11(3,4)8(2)13/h7-9,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyOGLDLKOABZQKJB-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds3

About N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide

N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide (PubChem CID 114826272) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
PubChem CID114826272
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C)(C)C(C)O)CO1
InChIInChI=1S/C11H21NO3/c1-7-5-9(6-15-7)10(14)12-11(3,4)8(2)13/h7-9,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyOGLDLKOABZQKJB-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

N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
3-hydroxy-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824297
N-(2-hydroxy-4,4-dimethylpentyl)-5-methyloxolane-3-carboxamide
CID 102677242
N-(1-hydroxy-2-phenylpropan-2-yl)-5-methyloxolane-3-carboxamide
CID 105058923
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyloxolane-3-carboxamide
CID 107868115
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
5-methyl-N-(2-methylpropoxy)oxolane-3-carboxamide
CID 114826134
2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 114824595
N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 114823383
5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide
CID 114827184
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide (CID 114826272) is N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC(C)(C)C(C)O)CO1.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is OGLDLKOABZQKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-5-9(6-15-7)10(14)12-11(3,4)8(2)13/h7-9,13H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide?
N-(3-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide 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-hydroxy-2-methylbutan-2-yl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114826272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).