2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide

C16H24N2O2 — CID 116676237

IUPAC2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
SMILESCc1ccccc1OCCN(C)C(=O)C(C)C1CNC1
InChIInChI=1S/C16H24N2O2/c1-12-6-4-5-7-15(12)20-9-8-18(3)16(19)13(2)14-10-17-11-14/h4-7,13-14,17H,8-11H2,1-3H3
InChIKeyJHYVXMOEHAUVQH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds6

About 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide

2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide (PubChem CID 116676237) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
PubChem CID116676237
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
SMILESCc1ccccc1OCCN(C)C(=O)C(C)C1CNC1
InChIInChI=1S/C16H24N2O2/c1-12-6-4-5-7-15(12)20-9-8-18(3)16(19)13(2)14-10-17-11-14/h4-7,13-14,17H,8-11H2,1-3H3
InChIKeyJHYVXMOEHAUVQH-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-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225
2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
CID 116676227
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 86909740
4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18120198
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560133
3-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695605
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 43035456

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide (CID 116676237) is 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide is Cc1ccccc1OCCN(C)C(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide?
The InChIKey is JHYVXMOEHAUVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-4-5-7-15(12)20-9-8-18(3)16(19)13(2)14-10-17-11-14/h4-7,13-14,17H,8-11H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide?
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide 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-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 116676237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).