1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone

C19H20N2O — CID 110655363

IUPAC1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
SMILESCC(NCC(=O)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(15-8-4-3-5-9-15)20-12-19(22)17-13-21(2)18-11-7-6-10-16(17)18/h3-11,13-14,20H,12H2,1-2H3
InChIKeyJEZXNAHNPXUODN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.71
Rot. Bonds5

About 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone

1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone (PubChem CID 110655363) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
PubChem CID110655363
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
SMILESCC(NCC(=O)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(15-8-4-3-5-9-15)20-12-19(22)17-13-21(2)18-11-7-6-10-16(17)18/h3-11,13-14,20H,12H2,1-2H3
InChIKeyJEZXNAHNPXUODN-UHFFFAOYSA-N
XLogP3.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655429
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655485
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110654010
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-[(2-methoxyphenyl)methylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655369
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655392
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
1-methyl-N-phenylindole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone?
The IUPAC name of 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone (CID 110655363) is 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone.
What is the SMILES notation for 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone?
The canonical SMILES for 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone is CC(NCC(=O)c1cn(C)c2ccccc12)c1ccccc1.
What is the InChIKey of 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone?
The InChIKey is JEZXNAHNPXUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(15-8-4-3-5-9-15)20-12-19(22)17-13-21(2)18-11-7-6-10-16(17)18/h3-11,13-14,20H,12H2,1-2H3.
What are the key properties of 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone?
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone has a molecular weight of 292.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone is sourced from PubChem (CID 110655363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).