(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one

C19H22N2O2 — CID 8024233

IUPAC(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
SMILESCCOc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-3-23-17-10-8-16(9-11-17)20-14(2)19(22)21-13-12-15-6-4-5-7-18(15)21/h4-11,14,20H,3,12-13H2,1-2H3/t14-/m0/s1
InChIKeyGYGZAPQNPMEDNP-AWEZNQCLSA-N
MW310.40 g/mol
LogP3.47
Rot. Bonds5

About (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one

(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one (PubChem CID 8024233) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
PubChem CID8024233
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
SMILESCCOc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-3-23-17-10-8-16(9-11-17)20-14(2)19(22)21-13-12-15-6-4-5-7-18(15)21/h4-11,14,20H,3,12-13H2,1-2H3/t14-/m0/s1
InChIKeyGYGZAPQNPMEDNP-AWEZNQCLSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2,3-dihydroindol-1-yl)-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 37303828
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
CID 86861188
N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876
1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one
CID 87033332
(2R)-2-(1,3-benzodioxol-5-ylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7509416
N-[4-[[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268249
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9249754
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
CID 95092000

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one (CID 8024233) is (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one is CCOc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one?
The InChIKey is GYGZAPQNPMEDNP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-23-17-10-8-16(9-11-17)20-14(2)19(22)21-13-12-15-6-4-5-7-18(15)21/h4-11,14,20H,3,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one?
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one has a molecular weight of 310.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one is sourced from PubChem (CID 8024233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).