2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone

C15H20N2O2 — CID 120792528

IUPAC2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1Cc2ccccc2C1)C1CCOCC1
InChIInChI=1S/C15H20N2O2/c16-14(11-5-7-19-8-6-11)15(18)17-9-12-3-1-2-4-13(12)10-17/h1-4,11,14H,5-10,16H2
InChIKeyLTBSLSAOHDEODT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds2

About 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone

2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone (PubChem CID 120792528) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
PubChem CID120792528
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1Cc2ccccc2C1)C1CCOCC1
InChIInChI=1S/C15H20N2O2/c16-14(11-5-7-19-8-6-11)15(18)17-9-12-3-1-2-4-13(12)10-17/h1-4,11,14H,5-10,16H2
InChIKeyLTBSLSAOHDEODT-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone
CID 170902557
2-amino-1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxan-4-yl)ethanone
CID 120793838
2-amino-2-(oxan-4-yl)-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
CID 120796270
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798614
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 120789992
2-amino-1-(4-benzyl-1,4-diazepan-1-yl)-2-(oxan-4-yl)ethanone
CID 120782467
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800060
2-amino-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797085
2-amino-2-(oxan-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 120801574
(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone
CID 153453871

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone (CID 120792528) is 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone is NC(C(=O)N1Cc2ccccc2C1)C1CCOCC1.
What is the InChIKey of 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is LTBSLSAOHDEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-14(11-5-7-19-8-6-11)15(18)17-9-12-3-1-2-4-13(12)10-17/h1-4,11,14H,5-10,16H2.
What are the key properties of 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone?
2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 260.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120792528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).