1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone

C13H18N2O2 — CID 82102369

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O2/c1-17-7-6-14-9-13(16)11-2-3-12-10(8-11)4-5-15-12/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyOPMLUEFRXLYYIS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds6

About 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone

1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 82102369) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID82102369
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H18N2O2/c1-17-7-6-14-9-13(16)11-2-3-12-10(8-11)4-5-15-12/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyOPMLUEFRXLYYIS-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257753
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
CID 116591564
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
1-(2,3-dihydro-1H-indol-5-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82102355
2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate
CID 103178589
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106254086
1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 98014554
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739
2-(cyclohexylamino)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 82257913
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone (CID 82102369) is 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is OPMLUEFRXLYYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-7-6-14-9-13(16)11-2-3-12-10(8-11)4-5-15-12/h2-3,8,14-15H,4-7,9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone?
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 82102369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).