2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide

C12H23N3O3 — CID 102610917

IUPAC2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)COC1(C)CNC1
InChIInChI=1S/C12H23N3O3/c1-9(2)11(17)15-5-4-14-10(16)6-18-12(3)7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyMBLYLJGKRQZXDX-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.75
Rot. Bonds7

About 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide

2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide (PubChem CID 102610917) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
PubChem CID102610917
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)COC1(C)CNC1
InChIInChI=1S/C12H23N3O3/c1-9(2)11(17)15-5-4-14-10(16)6-18-12(3)7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyMBLYLJGKRQZXDX-UHFFFAOYSA-N
XLogP-0.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-(2,3-dimethylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611702
2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl carbamate
CID 102656535
N-(2,2-difluoroethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611604
N-(2-hydroxy-4-methylpentyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611709
N-tert-butyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]propanamide
CID 102611576
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
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
4-methyl-2-[[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]methyl]pentanoic acid
CID 102656356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide (CID 102610917) is 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide is CC(C)C(=O)NCCNC(=O)COC1(C)CNC1.
What is the InChIKey of 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide?
The InChIKey is MBLYLJGKRQZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)11(17)15-5-4-14-10(16)6-18-12(3)7-13-8-12/h9,13H,4-8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide?
2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide has a molecular weight of 257.33 g/mol, XLogP of -0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]propanamide is sourced from PubChem (CID 102610917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).