2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone

C20H24N2O2 — CID 54823310

IUPAC2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCCCCOc1cccc(NCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H24N2O2/c1-2-3-13-24-18-9-6-8-17(14-18)21-15-20(23)22-12-11-16-7-4-5-10-19(16)22/h4-10,14,21H,2-3,11-13,15H2,1H3
InChIKeyRQBCOJNUGHNGQW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.87
Rot. Bonds7

About 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone

2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 54823310) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID54823310
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCCCCOc1cccc(NCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H24N2O2/c1-2-3-13-24-18-9-6-8-17(14-18)21-15-20(23)22-12-11-16-7-4-5-10-19(16)22/h4-10,14,21H,2-3,11-13,15H2,1H3
InChIKeyRQBCOJNUGHNGQW-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842688
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839150
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-heptoxyaniline
CID 54806742
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
CID 54827531

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone (CID 54823310) is 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone is CCCCOc1cccc(NCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RQBCOJNUGHNGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-13-24-18-9-6-8-17(14-18)21-15-20(23)22-12-11-16-7-4-5-10-19(16)22/h4-10,14,21H,2-3,11-13,15H2,1H3.
What are the key properties of 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 54823310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).