N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide

C12H24N2O3 — CID 102656234

IUPACN-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCCC(COC)NC(=O)COC1(C)CNC1
InChIInChI=1S/C12H24N2O3/c1-4-5-10(6-16-3)14-11(15)7-17-12(2)8-13-9-12/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyPKWZQZYSHJLZND-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.30
Rot. Bonds8

About N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656234) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656234
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCCC(COC)NC(=O)COC1(C)CNC1
InChIInChI=1S/C12H24N2O3/c1-4-5-10(6-16-3)14-11(15)7-17-12(2)8-13-9-12/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyPKWZQZYSHJLZND-UHFFFAOYSA-N
XLogP0.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067654
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
CID 107564991
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725
5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid
CID 102656504
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid
CID 102656607
2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide
CID 102611497
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
CID 102656442
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656234) is N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide is CCCC(COC)NC(=O)COC1(C)CNC1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is PKWZQZYSHJLZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-10(6-16-3)14-11(15)7-17-12(2)8-13-9-12/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 244.33 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).