[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate

C19H18N2O5 — CID 17463575

IUPAC[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
SMILESCC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccccc3O)ccc21
InChIInChI=1S/C19H18N2O5/c1-12(22)21-9-8-13-10-14(6-7-16(13)21)20-18(24)11-26-19(25)15-4-2-3-5-17(15)23/h2-7,10,23H,8-9,11H2,1H3,(H,20,24)
InChIKeyAUPKXWYAORCKBW-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.10
Rot. Bonds4

About [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate

[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 17463575) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
PubChem CID17463575
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
SMILESCC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccccc3O)ccc21
InChIInChI=1S/C19H18N2O5/c1-12(22)21-9-8-13-10-14(6-7-16(13)21)20-18(24)11-26-19(25)15-4-2-3-5-17(15)23/h2-7,10,23H,8-9,11H2,1H3,(H,20,24)
InChIKeyAUPKXWYAORCKBW-UHFFFAOYSA-N
XLogP2.10
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate
CID 71884378
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate
CID 24501202
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24518984
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 30017533
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798138
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18272340

Frequently Asked Questions

What is the IUPAC name of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate (CID 17463575) is [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate is CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccccc3O)ccc21.
What is the InChIKey of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is AUPKXWYAORCKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12(22)21-9-8-13-10-14(6-7-16(13)21)20-18(24)11-26-19(25)15-4-2-3-5-17(15)23/h2-7,10,23H,8-9,11H2,1H3,(H,20,24).
What are the key properties of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate?
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 354.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 17463575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).