1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone

C19H22N2O3 — CID 54822552

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
SMILESCOCCOc1ccc(NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O3/c1-23-12-13-24-17-8-6-16(7-9-17)20-14-19(22)21-11-10-15-4-2-3-5-18(15)21/h2-9,20H,10-14H2,1H3
InChIKeyYSDOXJBHUPHSRB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.71
Rot. Bonds7

About 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone (PubChem CID 54822552) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
PubChem CID54822552
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
SMILESCOCCOc1ccc(NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O3/c1-23-12-13-24-17-8-6-16(7-9-17)20-14-19(22)21-11-10-15-4-2-3-5-18(15)21/h2-9,20H,10-14H2,1H3
InChIKeyYSDOXJBHUPHSRB-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
1-(2,3-dihydroindol-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 109005214
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone
CID 54821154
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9105631
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone (CID 54822552) is 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone is COCCOc1ccc(NCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone?
The InChIKey is YSDOXJBHUPHSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-12-13-24-17-8-6-16(7-9-17)20-14-19(22)21-11-10-15-4-2-3-5-18(15)21/h2-9,20H,10-14H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone is sourced from PubChem (CID 54822552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).