[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate

C19H19N3O3 — CID 7723461

IUPAC[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCN(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-22(2)15-9-7-14(8-10-15)20-18(23)12-25-19(24)17-11-13-5-3-4-6-16(13)21-17/h3-11,21H,12H2,1-2H3,(H,20,23)
InChIKeyZHZOCHTUCKYJNJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.03
Rot. Bonds5

About [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 7723461) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID7723461
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCN(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-22(2)15-9-7-14(8-10-15)20-18(23)12-25-19(24)17-11-13-5-3-4-6-16(13)21-17/h3-11,21H,12H2,1-2H3,(H,20,23)
InChIKeyZHZOCHTUCKYJNJ-UHFFFAOYSA-N
XLogP3.03
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
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-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate
CID 7723034
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 27269010
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723665
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466038
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7713498
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7149734

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate (CID 7723461) is [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate is CN(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is ZHZOCHTUCKYJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22(2)15-9-7-14(8-10-15)20-18(23)12-25-19(24)17-11-13-5-3-4-6-16(13)21-17/h3-11,21H,12H2,1-2H3,(H,20,23).
What are the key properties of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate?
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7723461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).