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

C19H22N2O2 — CID 54825093

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
SMILESCCCOc1cccc(NCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-2-12-23-17-8-5-7-16(13-17)20-14-19(22)21-11-10-15-6-3-4-9-18(15)21/h3-9,13,20H,2,10-12,14H2,1H3
InChIKeyVBRLMRNSRJSSII-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.48
Rot. Bonds6

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

1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone (PubChem CID 54825093) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
PubChem CID54825093
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
SMILESCCCOc1cccc(NCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-2-12-23-17-8-5-7-16(13-17)20-14-19(22)21-11-10-15-6-3-4-9-18(15)21/h3-9,13,20H,2,10-12,14H2,1H3
InChIKeyVBRLMRNSRJSSII-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
1-(azepan-1-yl)-2-(3-propoxyanilino)ethanone
CID 54824937
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842688
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
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
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 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone (CID 54825093) is 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone is CCCOc1cccc(NCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone?
The InChIKey is VBRLMRNSRJSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-12-23-17-8-5-7-16(13-17)20-14-19(22)21-11-10-15-6-3-4-9-18(15)21/h3-9,13,20H,2,10-12,14H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone has a molecular weight of 310.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone is sourced from PubChem (CID 54825093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).