2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone

C19H21N3O — CID 110655485

IUPAC2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
SMILESCN(C)c1ccc(NCC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H21N3O/c1-21(2)15-10-8-14(9-11-15)20-12-19(23)17-13-22(3)18-7-5-4-6-16(17)18/h4-11,13,20H,12H2,1-3H3
InChIKeyOZFMOELHBZPORG-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.54
Rot. Bonds5

About 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone

2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone (PubChem CID 110655485) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
PubChem CID110655485
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
SMILESCN(C)c1ccc(NCC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H21N3O/c1-21(2)15-10-8-14(9-11-15)20-12-19(23)17-13-22(3)18-7-5-4-6-16(17)18/h4-11,13,20H,12H2,1-3H3
InChIKeyOZFMOELHBZPORG-UHFFFAOYSA-N
XLogP3.54
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.54
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-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655429
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
CID 110655518
2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
2-[(2-methoxyphenyl)methylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655369
N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide
CID 10542762
2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655508
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655392

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone (CID 110655485) is 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone is CN(C)c1ccc(NCC(=O)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone?
The InChIKey is OZFMOELHBZPORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-21(2)15-10-8-14(9-11-15)20-12-19(23)17-13-22(3)18-7-5-4-6-16(17)18/h4-11,13,20H,12H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone?
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone has a molecular weight of 307.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110655485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).