N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide

C14H29N3O2 — CID 102611874

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC(C)CC(CN(C)C)NC(=O)COC1(C)CNC1
InChIInChI=1S/C14H29N3O2/c1-11(2)6-12(7-17(4)5)16-13(18)8-19-14(3)9-15-10-14/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyLWENFALHLMCVSO-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.46
Rot. Bonds8

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611874) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611874
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC(C)CC(CN(C)C)NC(=O)COC1(C)CNC1
InChIInChI=1S/C14H29N3O2/c1-11(2)6-12(7-17(4)5)16-13(18)8-19-14(3)9-15-10-14/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyLWENFALHLMCVSO-UHFFFAOYSA-N
XLogP0.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611709
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
N-(1-methoxypropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067654
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656234
5,5-dimethyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]hexanoic acid
CID 102656607
4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid
CID 102656356
2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
2-(3-methylazetidin-3-yl)oxy-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 102611643
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
CID 102656442
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 79281897

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611874) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide is CC(C)CC(CN(C)C)NC(=O)COC1(C)CNC1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is LWENFALHLMCVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)6-12(7-17(4)5)16-13(18)8-19-14(3)9-15-10-14/h11-12,15H,6-10H2,1-5H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 271.40 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).