2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide

C12H24N2O — CID 116674919

IUPAC2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)N(C)C(=O)C(C)C1CNC1
InChIInChI=1S/C12H24N2O/c1-5-6-9(2)14(4)12(15)10(3)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3
InChIKeyYELYWTMOENLLCP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds5

About 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide

2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide (PubChem CID 116674919) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide
PubChem CID116674919
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)N(C)C(=O)C(C)C1CNC1
InChIInChI=1S/C12H24N2O/c1-5-6-9(2)14(4)12(15)10(3)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3
InChIKeyYELYWTMOENLLCP-UHFFFAOYSA-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

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Related Compounds

2-[2-(azetidin-3-yl)propanoyl-methylamino]propanoic acid
CID 116677692
2-(azetidin-3-yl)-N-butan-2-yl-N-ethylpropanamide
CID 116674787
2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 116676248
pentan-2-yl 2-(azetidin-3-yl)propanoate
CID 102982642
2-(azetidin-3-yl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 116676307
2-methylpentyl 2-(azetidin-3-yl)propanoate
CID 103284304
2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 116678990
(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylbutanamide
CID 61154897
3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
CID 62726602
2-(azetidin-3-yl)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 116674963
N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide
CID 116676401
2-(azetidin-3-yl)-N-(2-ethoxyethyl)-N-ethylpropanamide
CID 116677912

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide (CID 116674919) is 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide is CCCC(C)N(C)C(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide?
The InChIKey is YELYWTMOENLLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-9(2)14(4)12(15)10(3)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide?
2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide 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 2-(azetidin-3-yl)-N-methyl-N-pentan-2-ylpropanamide is sourced from PubChem (CID 116674919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).