1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone

C17H25N3O2 — CID 82257951

IUPAC1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone
SMILESCC1Cc2cc(C(=O)CNCCN3CCOCC3)ccc2N1
InChIInChI=1S/C17H25N3O2/c1-13-10-15-11-14(2-3-16(15)19-13)17(21)12-18-4-5-20-6-8-22-9-7-20/h2-3,11,13,18-19H,4-10,12H2,1H3
InChIKeyQTVONDJTXYYEAB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.15
Rot. Bonds6

About 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone

1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone (PubChem CID 82257951) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone
PubChem CID82257951
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone
SMILESCC1Cc2cc(C(=O)CNCCN3CCOCC3)ccc2N1
InChIInChI=1S/C17H25N3O2/c1-13-10-15-11-14(2-3-16(15)19-13)17(21)12-18-4-5-20-6-8-22-9-7-20/h2-3,11,13,18-19H,4-10,12H2,1H3
InChIKeyQTVONDJTXYYEAB-UHFFFAOYSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone with MolForge

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Related Compounds

2-(2-morpholin-4-ylethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257745
2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
CID 82256396
(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-morpholin-4-ylmethanone
CID 102567774
N-(2-morpholin-4-ylethyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344803
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-morpholin-4-ylethylamino)ethanone
CID 110654843
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 71051708
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(2-morpholin-4-ylethylamino)ethanone
CID 110654965
4-[2-[2-[4-[1-[2-[[2-(4-formylphenyl)-2-oxoethyl]amino]ethyl]piperidin-4-yl]oxypiperidin-1-yl]ethylamino]acetyl]benzaldehyde
CID 142756729
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
CID 82256463

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone (CID 82257951) is 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone is CC1Cc2cc(C(=O)CNCCN3CCOCC3)ccc2N1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone?
The InChIKey is QTVONDJTXYYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-10-15-11-14(2-3-16(15)19-13)17(21)12-18-4-5-20-6-8-22-9-7-20/h2-3,11,13,18-19H,4-10,12H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone?
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone is sourced from PubChem (CID 82257951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).