(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone

C19H20N2O2 — CID 9356665

IUPAC(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
SMILESCOCCN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-23-12-11-20-18(14-7-3-2-4-8-14)19(22)16-13-21-17-10-6-5-9-15(16)17/h2-10,13,18,20-21H,11-12H2,1H3/t18-/m1/s1
InChIKeyBSXAEGXIQZDLNC-GOSISDBHSA-N
MW308.38 g/mol
LogP3.33
Rot. Bonds7

About (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone

(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone (PubChem CID 9356665) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
PubChem CID9356665
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
SMILESCOCCN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-23-12-11-20-18(14-7-3-2-4-8-14)19(22)16-13-21-17-10-6-5-9-15(16)17/h2-10,13,18,20-21H,11-12H2,1H3/t18-/m1/s1
InChIKeyBSXAEGXIQZDLNC-GOSISDBHSA-N
XLogP3.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethanone
CID 139422939
1-(1H-indol-3-yl)-2-phenyl-2-(2-pyridin-3-ylethylamino)ethanone
CID 139422871
(2R)-2-[2-(2-chloro-4-methylphenyl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 158771521
(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
CID 31443537
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 139422950
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-[2-[4-(2H-triazol-4-yl)phenyl]ethylamino]ethanone
CID 139422935
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone (CID 9356665) is (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone is COCCN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone?
The InChIKey is BSXAEGXIQZDLNC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-12-11-20-18(14-7-3-2-4-8-14)19(22)16-13-21-17-10-6-5-9-15(16)17/h2-10,13,18,20-21H,11-12H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone?
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone has a molecular weight of 308.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone is sourced from PubChem (CID 9356665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).