2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone

C21H25N3O — CID 110655324

IUPAC2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone
SMILESCCN(CC)c1ccc(NCC(=O)c2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H25N3O/c1-4-24(5-2)16-10-11-19(15(3)12-16)23-14-21(25)18-13-22-20-9-7-6-8-17(18)20/h6-13,22-23H,4-5,14H2,1-3H3
InChIKeyBIUVFKMIMXPQBW-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.62
Rot. Bonds7

About 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone

2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone (PubChem CID 110655324) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone
PubChem CID110655324
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone
SMILESCCN(CC)c1ccc(NCC(=O)c2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H25N3O/c1-4-24(5-2)16-10-11-19(15(3)12-16)23-14-21(25)18-13-22-20-9-7-6-8-17(18)20/h6-13,22-23H,4-5,14H2,1-3H3
InChIKeyBIUVFKMIMXPQBW-UHFFFAOYSA-N
XLogP4.62
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
CID 110655518
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
2-[4-(diethylamino)-2-methylanilino]ethanol
CID 67897103
[4-(diethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 4256394
2-[4-(diethylamino)-2-methylanilino]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654151
2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655257
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131
2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide
CID 108997011
2-(3,4-difluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655332
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone (CID 110655324) is 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone is CCN(CC)c1ccc(NCC(=O)c2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is BIUVFKMIMXPQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-24(5-2)16-10-11-19(15(3)12-16)23-14-21(25)18-13-22-20-9-7-6-8-17(18)20/h6-13,22-23H,4-5,14H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone?
2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 335.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110655324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).