N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide

C13H26N2O3 — CID 106255080

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCC(CC)(CO)CNC(=O)COC1(C)CNC1
InChIInChI=1S/C13H26N2O3/c1-4-13(5-2,10-16)9-15-11(17)6-18-12(3)7-14-8-12/h14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyVNUXDJAGNXHBDD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.28
Rot. Bonds8

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 106255080) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID106255080
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCC(CC)(CO)CNC(=O)COC1(C)CNC1
InChIInChI=1S/C13H26N2O3/c1-4-13(5-2,10-16)9-15-11(17)6-18-12(3)7-14-8-12/h14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyVNUXDJAGNXHBDD-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611730
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656490
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702
2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide
CID 102611576
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
CID 102656535

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 106255080) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide is CCC(CC)(CO)CNC(=O)COC1(C)CNC1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is VNUXDJAGNXHBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-13(5-2,10-16)9-15-11(17)6-18-12(3)7-14-8-12/h14,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 258.36 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 106255080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).