2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium

C20H22N3O2+ — CID 9356616

IUPAC2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
SMILESCC(=O)NCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-14(24)21-11-12-22-19(15-7-3-2-4-8-15)20(25)17-13-23-18-10-6-5-9-16(17)18/h2-10,13,19,22-23H,11-12H2,1H3,(H,21,24)/p+1/t19-/m1/s1
InChIKeyRTOMLNIDAYBZMO-LJQANCHMSA-O
MW336.42 g/mol
LogP1.79
Rot. Bonds7

About 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium

2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium (PubChem CID 9356616) has the molecular formula C20H22N3O2+ and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Name2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
PubChem CID9356616
Molecular FormulaC20H22N3O2+
Molecular Weight336.42 g/mol
Exact Mass336.17
IUPAC Name2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
SMILESCC(=O)NCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-14(24)21-11-12-22-19(15-7-3-2-4-8-15)20(25)17-13-23-18-10-6-5-9-16(17)18/h2-10,13,19,22-23H,11-12H2,1H3,(H,21,24)/p+1/t19-/m1/s1
InChIKeyRTOMLNIDAYBZMO-LJQANCHMSA-O
XLogP1.79
TPSA78.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9325925
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9441387
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
N-[2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]acetamide
CID 4826075
2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide
CID 9356953
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699
2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 139422950
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)-2-phenylethanone
CID 9356718
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide
CID 24506580
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium (CID 9356616) is 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium is CC(=O)NCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
The InChIKey is RTOMLNIDAYBZMO-LJQANCHMSA-O. The full InChI is InChI=1S/C20H21N3O2/c1-14(24)21-11-12-22-19(15-7-3-2-4-8-15)20(25)17-13-23-18-10-6-5-9-16(17)18/h2-10,13,19,22-23H,11-12H2,1H3,(H,21,24)/p+1/t19-/m1/s1.
What are the key properties of 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium?
2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium has a molecular weight of 336.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 9356616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).