(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide

C12H23NO2 — CID 169193374

IUPAC(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCOC1)C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)11(9(3)4)13-12(14)10-5-6-15-7-10/h8-11H,5-7H2,1-4H3,(H,13,14)/t10-/m1/s1
InChIKeyAYLZFEYGOYADAO-SNVBAGLBSA-N
MW213.32 g/mol
LogP1.82
Rot. Bonds4

About (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide

(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide (PubChem CID 169193374) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
PubChem CID169193374
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCOC1)C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)11(9(3)4)13-12(14)10-5-6-15-7-10/h8-11H,5-7H2,1-4H3,(H,13,14)/t10-/m1/s1
InChIKeyAYLZFEYGOYADAO-SNVBAGLBSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide
CID 107859858
N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
CID 100609902
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62758810
(2S)-3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62759763
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide
CID 56804759
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
2-methyl-1-[(3S)-oxolan-3-yl]propan-1-one
CID 58423021

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide?
The IUPAC name of (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide (CID 169193374) is (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide is CC(C)C(NC(=O)[C@@H]1CCOC1)C(C)C.
What is the InChIKey of (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide?
The InChIKey is AYLZFEYGOYADAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)11(9(3)4)13-12(14)10-5-6-15-7-10/h8-11H,5-7H2,1-4H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide?
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 169193374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).