N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide

C11H21NO3 — CID 103770925

IUPACN-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCOC1
InChIInChI=1S/C11H21NO3/c1-8(2)5-10(13)6-12-11(14)9-3-4-15-7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyZUXSZZWMSYDMJQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.55
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide

N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide (PubChem CID 103770925) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
PubChem CID103770925
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCOC1
InChIInChI=1S/C11H21NO3/c1-8(2)5-10(13)6-12-11(14)9-3-4-15-7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyZUXSZZWMSYDMJQ-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-[4-methyl-2-(oxolane-3-carbonylamino)pentyl]oxolane-3-carboxamide
CID 56804759
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 113258709
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103771225

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide (CID 103770925) is N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide is CC(C)CC(O)CNC(=O)C1CCOC1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide?
The InChIKey is ZUXSZZWMSYDMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)5-10(13)6-12-11(14)9-3-4-15-7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide?
N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide is sourced from PubChem (CID 103770925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).