N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide

C12H23NO3 — CID 65160276

IUPACN-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(CO)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H23NO3/c1-7(6-14)5-13-12(15)11-8(2)9(3)16-10(11)4/h7-11,14H,5-6H2,1-4H3,(H,13,15)
InChIKeySKOUFKVABICTKE-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.79
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65160276) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65160276
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(CO)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H23NO3/c1-7(6-14)5-13-12(15)11-8(2)9(3)16-10(11)4/h7-11,14H,5-6H2,1-4H3,(H,13,15)
InChIKeySKOUFKVABICTKE-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65160276) is N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide is CC(CO)CNC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is SKOUFKVABICTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-7(6-14)5-13-12(15)11-8(2)9(3)16-10(11)4/h7-11,14H,5-6H2,1-4H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65160276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).