2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

C12H23N3O2 — CID 102611904

IUPAC2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN1CCCC1CNC(=O)COC1(C)CNC1
InChIInChI=1S/C12H23N3O2/c1-12(8-13-9-12)17-7-11(16)14-6-10-4-3-5-15(10)2/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyYMBWIGWANFPFRE-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.42
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 102611904) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
PubChem CID102611904
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN1CCCC1CNC(=O)COC1(C)CNC1
InChIInChI=1S/C12H23N3O2/c1-12(8-13-9-12)17-7-11(16)14-6-10-4-3-5-15(10)2/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyYMBWIGWANFPFRE-UHFFFAOYSA-N
XLogP-0.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-N-[(4-methylcyclohexyl)methyl]acetamide
CID 102656184
2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide
CID 102611484
N-[(1-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107941722
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
2-(2-aminoethoxy)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 79478680
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106019327
2-(3-methylazetidin-3-yl)oxy-N-(4-methylpiperazin-1-yl)acetamide
CID 102656518
2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide
CID 94822117
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026215
1-amino-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814042
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (CID 102611904) is 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is CN1CCCC1CNC(=O)COC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is YMBWIGWANFPFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(8-13-9-12)17-7-11(16)14-6-10-4-3-5-15(10)2/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 241.33 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 102611904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).