3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide

C12H24N2O2 — CID 102671535

IUPAC3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCC1CCOC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-12(15)4-7-13-6-3-11-5-8-16-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyMQDSQWQWSNXVPN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds7

About 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide

3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 102671535) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID102671535
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCCC1CCOC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-12(15)4-7-13-6-3-11-5-8-16-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyMQDSQWQWSNXVPN-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide 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 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide (CID 102671535) is 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCCC1CCOC1.
What is the InChIKey of 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is MQDSQWQWSNXVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14-12(15)4-7-13-6-3-11-5-8-16-9-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide?
3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 102671535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).