N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide

C12H23NO3 — CID 102677253

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(CCO)C(C)C)CO1
InChIInChI=1S/C12H23NO3/c1-8(2)11(4-5-14)13-12(15)10-6-9(3)16-7-10/h8-11,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyRCOOZBWMVVKOMP-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.93
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide (PubChem CID 102677253) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide
PubChem CID102677253
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(CCO)C(C)C)CO1
InChIInChI=1S/C12H23NO3/c1-8(2)11(4-5-14)13-12(15)10-6-9(3)16-7-10/h8-11,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyRCOOZBWMVVKOMP-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.93
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-3-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide (CID 102677253) is N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC(CCO)C(C)C)CO1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is RCOOZBWMVVKOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)11(4-5-14)13-12(15)10-6-9(3)16-7-10/h8-11,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.93, 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-3-yl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 102677253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).