3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one

C13H17NO3 — CID 43823969

IUPAC3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one
SMILESCOc1cccc(C(C)NC2CCOC2=O)c1
InChIInChI=1S/C13H17NO3/c1-9(14-12-6-7-17-13(12)15)10-4-3-5-11(8-10)16-2/h3-5,8-9,12,14H,6-7H2,1-2H3
InChIKeyRGPIXGAYWTZQNH-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.66
Rot. Bonds4

About 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one

3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one (PubChem CID 43823969) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one
PubChem CID43823969
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one
SMILESCOc1cccc(C(C)NC2CCOC2=O)c1
InChIInChI=1S/C13H17NO3/c1-9(14-12-6-7-17-13(12)15)10-4-3-5-11(8-10)16-2/h3-5,8-9,12,14H,6-7H2,1-2H3
InChIKeyRGPIXGAYWTZQNH-UHFFFAOYSA-N
XLogP1.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one
CID 43824150
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 81375776
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one?
The IUPAC name of 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one (CID 43823969) is 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one?
The canonical SMILES for 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one is COc1cccc(C(C)NC2CCOC2=O)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one?
The InChIKey is RGPIXGAYWTZQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(14-12-6-7-17-13(12)15)10-4-3-5-11(8-10)16-2/h3-5,8-9,12,14H,6-7H2,1-2H3.
What are the key properties of 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one?
3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one is sourced from PubChem (CID 43823969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).