2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone

C16H22N2O3 — CID 120790812

IUPAC2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-20-13-2-3-14-12(10-13)4-7-18(14)16(19)15(17)11-5-8-21-9-6-11/h2-3,10-11,15H,4-9,17H2,1H3
InChIKeyAVNWGPNUQQEVKR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.34
Rot. Bonds3

About 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone (PubChem CID 120790812) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
PubChem CID120790812
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-20-13-2-3-14-12(10-13)4-7-18(14)16(19)15(17)11-5-8-21-9-6-11/h2-3,10-11,15H,4-9,17H2,1H3
InChIKeyAVNWGPNUQQEVKR-UHFFFAOYSA-N
XLogP1.34
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 120668047
2-amino-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-(oxan-4-yl)ethanone
CID 120790062
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 119310085
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786223
2-amino-1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120791142
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
CID 120561708
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone (CID 120790812) is 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone is COc1ccc2c(c1)CCN2C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is AVNWGPNUQQEVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-13-2-3-14-12(10-13)4-7-18(14)16(19)15(17)11-5-8-21-9-6-11/h2-3,10-11,15H,4-9,17H2,1H3.
What are the key properties of 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone?
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 290.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120790812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).