N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide

C12H24N2O2 — CID 65152322

IUPACN-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(CCN)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H24N2O2/c1-7(5-6-13)14-12(15)11-8(2)9(3)16-10(11)4/h7-11H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyOAQPRLVHPQJRDO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds4

About N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide

N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65152322) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65152322
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(CCN)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H24N2O2/c1-7(5-6-13)14-12(15)11-8(2)9(3)16-10(11)4/h7-11H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyOAQPRLVHPQJRDO-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65152322) is N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide is CC(CCN)NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is OAQPRLVHPQJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7(5-6-13)14-12(15)11-8(2)9(3)16-10(11)4/h7-11H,5-6,13H2,1-4H3,(H,14,15).
What are the key properties of N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65152322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).