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

C12H23NO3 — CID 103801134

IUPACN-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1OCCC1C
InChIInChI=1S/C12H23NO3/c1-8(2)6-10(14)7-13-12(15)11-9(3)4-5-16-11/h8-11,14H,4-7H2,1-3H3,(H,13,15)
InChIKeySAVZQVSMPXDMFG-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.93
Rot. Bonds5

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

N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide (PubChem CID 103801134) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide
PubChem CID103801134
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1OCCC1C
InChIInChI=1S/C12H23NO3/c1-8(2)6-10(14)7-13-12(15)11-9(3)4-5-16-11/h8-11,14H,4-7H2,1-3H3,(H,13,15)
InChIKeySAVZQVSMPXDMFG-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-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide (CID 103801134) is N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide is CC(C)CC(O)CNC(=O)C1OCCC1C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide?
The InChIKey is SAVZQVSMPXDMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)6-10(14)7-13-12(15)11-9(3)4-5-16-11/h8-11,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide?
N-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-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-(2-hydroxy-4-methylpentyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 103801134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).