3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide

C12H24N2O2 — CID 60849170

IUPAC3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCC1CCCO1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-7-6-11(15)13-9-10-5-4-8-16-10/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyICPUXLCOLFKGPI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds5

About 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide

3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 60849170) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID60849170
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCC1CCCO1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-7-6-11(15)13-9-10-5-4-8-16-10/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyICPUXLCOLFKGPI-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 54917416
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
CID 109016044
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106135794
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015978

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide (CID 60849170) is 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide is CC(C)(C)NCCC(=O)NCC1CCCO1.
What is the InChIKey of 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is ICPUXLCOLFKGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)14-7-6-11(15)13-9-10-5-4-8-16-10/h10,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide?
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 60849170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).