N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide

C12H23NO3 — CID 123977622

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C)(C)CCO)C(C)O1
InChIInChI=1S/C12H23NO3/c1-8-7-10(9(2)16-8)11(15)13-12(3,4)5-6-14/h8-10,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyKFPZYDLYWRTPBK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds4

About N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide

N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide (PubChem CID 123977622) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide
PubChem CID123977622
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C)(C)CCO)C(C)O1
InChIInChI=1S/C12H23NO3/c1-8-7-10(9(2)16-8)11(15)13-12(3,4)5-6-14/h8-10,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyKFPZYDLYWRTPBK-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide (CID 123977622) is N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide is CC1CC(C(=O)NC(C)(C)CCO)C(C)O1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide?
The InChIKey is KFPZYDLYWRTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8-7-10(9(2)16-8)11(15)13-12(3,4)5-6-14/h8-10,14H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2,5-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 123977622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).