2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide

C17H26N2O2 — CID 116676227

IUPAC2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C(C)C2CNC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-7-13(2)9-16(8-12)21-6-5-19(4)17(20)14(3)15-10-18-11-15/h7-9,14-15,18H,5-6,10-11H2,1-4H3
InChIKeyGLKYJJVLKBNRSS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.00
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide

2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide (PubChem CID 116676227) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
PubChem CID116676227
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C(C)C2CNC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-7-13(2)9-16(8-12)21-6-5-19(4)17(20)14(3)15-10-18-11-15/h7-9,14-15,18H,5-6,10-11H2,1-4H3
InChIKeyGLKYJJVLKBNRSS-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 116676237
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide
CID 18119674
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 112732793
N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63139967
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110020096
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 97123264

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide (CID 116676227) is 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide is Cc1cc(C)cc(OCCN(C)C(=O)C(C)C2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide?
The InChIKey is GLKYJJVLKBNRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-13(2)9-16(8-12)21-6-5-19(4)17(20)14(3)15-10-18-11-15/h7-9,14-15,18H,5-6,10-11H2,1-4H3.
What are the key properties of 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide?
2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 116676227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).