N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide

C12H24N2O2 — CID 65152618

IUPACN-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(CN)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H24N2O2/c1-7(5-13)6-14-12(15)11-8(2)9(3)16-10(11)4/h7-11H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyXANIQQJVHKRYBW-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.76
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65152618) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65152618
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(CN)CNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C12H24N2O2/c1-7(5-13)6-14-12(15)11-8(2)9(3)16-10(11)4/h7-11H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyXANIQQJVHKRYBW-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65152618) is N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide is CC(CN)CNC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is XANIQQJVHKRYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7(5-13)6-14-12(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-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65152618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).