N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide

C13H25N3O3 — CID 102611576

IUPACN-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC(=O)COC1(C)CNC1
InChIInChI=1S/C13H25N3O3/c1-12(2,3)16-10(17)5-6-15-11(18)7-19-13(4)8-14-9-13/h14H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyYYOUGOVIPCEARS-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.21
Rot. Bonds6

About N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide

N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide (PubChem CID 102611576) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide
PubChem CID102611576
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC(=O)COC1(C)CNC1
InChIInChI=1S/C13H25N3O3/c1-12(2,3)16-10(17)5-6-15-11(18)7-19-13(4)8-14-9-13/h14H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyYYOUGOVIPCEARS-UHFFFAOYSA-N
XLogP-0.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
CID 102610917
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
CID 102656535
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656490
4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid
CID 102656230
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
2-(3-methylazetidin-3-yl)oxy-N-(2-methylbut-3-yn-2-yl)acetamide
CID 102656217
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-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611730
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 106255080
N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114183708

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide?
The IUPAC name of N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide (CID 102611576) is N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide is CC(C)(C)NC(=O)CCNC(=O)COC1(C)CNC1.
What is the InChIKey of N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide?
The InChIKey is YYOUGOVIPCEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12(2,3)16-10(17)5-6-15-11(18)7-19-13(4)8-14-9-13/h14H,5-9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide?
N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide has a molecular weight of 271.36 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide is sourced from PubChem (CID 102611576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).