2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide

C12H23NO2 — CID 159324069

IUPAC2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide
SMILESCC(C)CC1(CNC(=O)C(C)C)COC1
InChIInChI=1S/C12H23NO2/c1-9(2)5-12(7-15-8-12)6-13-11(14)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyLEDCKPUWOKDZEO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.82
Rot. Bonds5

About 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide

2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide (PubChem CID 159324069) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide
PubChem CID159324069
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide
SMILESCC(C)CC1(CNC(=O)C(C)C)COC1
InChIInChI=1S/C12H23NO2/c1-9(2)5-12(7-15-8-12)6-13-11(14)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyLEDCKPUWOKDZEO-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide (CID 159324069) is 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide is CC(C)CC1(CNC(=O)C(C)C)COC1.
What is the InChIKey of 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide?
The InChIKey is LEDCKPUWOKDZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)5-12(7-15-8-12)6-13-11(14)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide?
2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide has a molecular weight of 213.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-methylpropyl)oxetan-3-yl]methyl]propanamide is sourced from PubChem (CID 159324069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).