N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide

C12H24N2O — CID 167034979

IUPACN-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](CN1CCC1)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)11(8-14-6-5-7-14)13-12(15)10(3)4/h9-11H,5-8H2,1-4H3,(H,13,15)/t11-/m1/s1
InChIKeyFQDWGHJLRLXCSS-LLVKDONJSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds5

About N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide

N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide (PubChem CID 167034979) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
PubChem CID167034979
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](CN1CCC1)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)11(8-14-6-5-7-14)13-12(15)10(3)4/h9-11H,5-8H2,1-4H3,(H,13,15)/t11-/m1/s1
InChIKeyFQDWGHJLRLXCSS-LLVKDONJSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide 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

2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473
2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide
CID 163271288
2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide
CID 169251204
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
N-[(2R,3S)-4-(azepan-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 169251543
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide
CID 163271287
(2S)-3-methyl-N-propan-2-yl-1-pyrrolidin-1-ylbutan-2-amine
CID 54557324
4-chloro-2-(fluoromethyl)-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 123915044
2-methyl-N-[(2S)-3-methyl-1-[(2R)-1-methylpiperidin-2-yl]butan-2-yl]propanamide
CID 167386456
3-(azetidin-1-yl)-2-methylpropanehydrazide
CID 130548534

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide (CID 167034979) is N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H](CN1CCC1)C(C)C.
What is the InChIKey of N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
The InChIKey is FQDWGHJLRLXCSS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)11(8-14-6-5-7-14)13-12(15)10(3)4/h9-11H,5-8H2,1-4H3,(H,13,15)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide?
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 167034979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).