N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C12H24N2O3 — CID 102611709

IUPACN-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC(C)CC(O)CNC(=O)COC1(C)CNC1
InChIInChI=1S/C12H24N2O3/c1-9(2)4-10(15)5-14-11(16)6-17-12(3)7-13-8-12/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyRVJPLUQEVFCCJO-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.11
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611709) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611709
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC(C)CC(O)CNC(=O)COC1(C)CNC1
InChIInChI=1S/C12H24N2O3/c1-9(2)4-10(15)5-14-11(16)6-17-12(3)7-13-8-12/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyRVJPLUQEVFCCJO-UHFFFAOYSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid
CID 102656356
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
N-(2-cyanopropyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656133
N-(2-cyclopropylpropyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611512
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 102611630
2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611709) is N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC(C)CC(O)CNC(=O)COC1(C)CNC1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is RVJPLUQEVFCCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)4-10(15)5-14-11(16)6-17-12(3)7-13-8-12/h9-10,13,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 244.33 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).