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

C22H27N3O — CID 110655518

IUPAC2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
SMILESCCN(CC)c1ccc(NCC(=O)c2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C22H27N3O/c1-5-25(6-2)17-11-12-20(16(3)13-17)23-14-22(26)19-15-24(4)21-10-8-7-9-18(19)21/h7-13,15,23H,5-6,14H2,1-4H3
InChIKeyFKNPFTNXLUVOTE-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.63
Rot. Bonds7

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

2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone (PubChem CID 110655518) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
PubChem CID110655518
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
SMILESCCN(CC)c1ccc(NCC(=O)c2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C22H27N3O/c1-5-25(6-2)17-11-12-20(16(3)13-17)23-14-22(26)19-15-24(4)21-10-8-7-9-18(19)21/h7-13,15,23H,5-6,14H2,1-4H3
InChIKeyFKNPFTNXLUVOTE-UHFFFAOYSA-N
XLogP4.63
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455
2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone
CID 110655324
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655485
2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655429
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide
CID 113208003
2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide
CID 108997011
N-[4-(diethylamino)-2-methylphenyl]-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211503
2-[4-(diethylamino)-2-methylanilino]ethanol
CID 67897103
N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207749
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone (CID 110655518) is 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone is CCN(CC)c1ccc(NCC(=O)c2cn(C)c3ccccc23)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone?
The InChIKey is FKNPFTNXLUVOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-25(6-2)17-11-12-20(16(3)13-17)23-14-22(26)19-15-24(4)21-10-8-7-9-18(19)21/h7-13,15,23H,5-6,14H2,1-4H3.
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone?
2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone has a molecular weight of 349.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110655518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).