2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide

C16H24N2O2 — CID 65488021

IUPAC2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)CC1CNC1
InChIInChI=1S/C16H24N2O2/c1-12(8-14-6-4-5-7-15(14)20-3)18(2)16(19)9-13-10-17-11-13/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyKMQNGGIEVDCZDR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide

2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide (PubChem CID 65488021) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
PubChem CID65488021
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)CC1CNC1
InChIInChI=1S/C16H24N2O2/c1-12(8-14-6-4-5-7-15(14)20-3)18(2)16(19)9-13-10-17-11-13/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyKMQNGGIEVDCZDR-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-(azetidin-3-yl)-N-(2-methoxyphenyl)-N-methylacetamide
CID 64609788
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide
CID 65486341
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperidine-3-carboxamide
CID 65487251
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide (CID 65488021) is 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide is COc1ccccc1CC(C)N(C)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide?
The InChIKey is KMQNGGIEVDCZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(8-14-6-4-5-7-15(14)20-3)18(2)16(19)9-13-10-17-11-13/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide?
2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.69, 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-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide is sourced from PubChem (CID 65488021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).