N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide

C15H22N2O3 — CID 102656407

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCOc1cccc([C@@H](C)NC(=O)COC2(C)CNC2)c1
InChIInChI=1S/C15H22N2O3/c1-11(12-5-4-6-13(7-12)19-3)17-14(18)8-20-15(2)9-16-10-15/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyXOMKBQNMQBVALK-LLVKDONJSA-N
MW278.35 g/mol
LogP1.25
Rot. Bonds6

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656407) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656407
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCOc1cccc([C@@H](C)NC(=O)COC2(C)CNC2)c1
InChIInChI=1S/C15H22N2O3/c1-11(12-5-4-6-13(7-12)19-3)17-14(18)8-20-15(2)9-16-10-15/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyXOMKBQNMQBVALK-LLVKDONJSA-N
XLogP1.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876727
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656423
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 46860365
2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373008
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
2-(2-fluorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 42563585

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656407) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide is COc1cccc([C@@H](C)NC(=O)COC2(C)CNC2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is XOMKBQNMQBVALK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(12-5-4-6-13(7-12)19-3)17-14(18)8-20-15(2)9-16-10-15/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).