1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone

C19H22N2O2 — CID 110452888

IUPAC1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Nc3ccccc3OC(C)C)ccc21
InChIInChI=1S/C19H22N2O2/c1-13(2)23-19-7-5-4-6-17(19)20-16-8-9-18-15(12-16)10-11-21(18)14(3)22/h4-9,12-13,20H,10-11H2,1-3H3
InChIKeyJOEVBPBQRBAQLD-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.13
Rot. Bonds4

About 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110452888) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID110452888
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Nc3ccccc3OC(C)C)ccc21
InChIInChI=1S/C19H22N2O2/c1-13(2)23-19-7-5-4-6-17(19)20-16-8-9-18-15(12-16)10-11-21(18)14(3)22/h4-9,12-13,20H,10-11H2,1-3H3
InChIKeyJOEVBPBQRBAQLD-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-2-oxo-N-(2-propan-2-yloxyphenyl)acetamide
CID 108986778
1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452814
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109356624
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 167868003
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-chlorophenyl)thiourea
CID 2727568
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone (CID 110452888) is 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(Nc3ccccc3OC(C)C)ccc21.
What is the InChIKey of 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is JOEVBPBQRBAQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)23-19-7-5-4-6-17(19)20-16-8-9-18-15(12-16)10-11-21(18)14(3)22/h4-9,12-13,20H,10-11H2,1-3H3.
What are the key properties of 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110452888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).