2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide

C12H24N2O2 — CID 78957482

IUPAC2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCC1(C)COC1
InChIInChI=1S/C12H24N2O2/c1-9(2)5-13-11(15)10(3)14-6-12(4)7-16-8-12/h9-10,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyXMXTXVSYVNQSHI-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.77
Rot. Bonds6

About 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide

2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 78957482) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID78957482
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCC1(C)COC1
InChIInChI=1S/C12H24N2O2/c1-9(2)5-13-11(15)10(3)14-6-12(4)7-16-8-12/h9-10,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyXMXTXVSYVNQSHI-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)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

N-(2-methylpropyl)-2-[(1-propan-2-ylcyclopropyl)methylamino]propanamide
CID 103742193
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813
3-methyl-2-[(3-methyloxetan-3-yl)methylamino]butanamide
CID 103914041
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111828269
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
N-(3-methoxypropyl)-2-[(4-methyloxan-4-yl)methylamino]propanamide
CID 103742237
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide (CID 78957482) is 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCC1(C)COC1.
What is the InChIKey of 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is XMXTXVSYVNQSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)5-13-11(15)10(3)14-6-12(4)7-16-8-12/h9-10,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 78957482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).