N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide

C11H21NO3 — CID 61247051

IUPACN-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1CCCO1
InChIInChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-11(14)10-4-3-5-15-10/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyOSMWKEJEQAJKPW-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide (PubChem CID 61247051) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide
PubChem CID61247051
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1CCCO1
InChIInChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-11(14)10-4-3-5-15-10/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyOSMWKEJEQAJKPW-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide (CID 61247051) is N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide is CC(C)CC(CO)NC(=O)C1CCCO1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide?
The InChIKey is OSMWKEJEQAJKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-11(14)10-4-3-5-15-10/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 61247051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).