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

C20H20N2O5 — CID 71884378

IUPAC[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate
SMILESCC(=O)N1CCc2cc(NC(=O)COC(=O)c3cccc(CO)c3)ccc21
InChIInChI=1S/C20H20N2O5/c1-13(24)22-8-7-15-10-17(5-6-18(15)22)21-19(25)12-27-20(26)16-4-2-3-14(9-16)11-23/h2-6,9-10,23H,7-8,11-12H2,1H3,(H,21,25)
InChIKeyYZPQJJZRWKHAQC-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.88
Rot. Bonds5

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

[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate (PubChem CID 71884378) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate
PubChem CID71884378
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate
SMILESCC(=O)N1CCc2cc(NC(=O)COC(=O)c3cccc(CO)c3)ccc21
InChIInChI=1S/C20H20N2O5/c1-13(24)22-8-7-15-10-17(5-6-18(15)22)21-19(25)12-27-20(26)16-4-2-3-14(9-16)11-23/h2-6,9-10,23H,7-8,11-12H2,1H3,(H,21,25)
InChIKeyYZPQJJZRWKHAQC-UHFFFAOYSA-N
XLogP1.88
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 17463575
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate
CID 24501202
[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
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18272340
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 30017533
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 17461202
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141

Frequently Asked Questions

What is the IUPAC name of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate?
The IUPAC name of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate (CID 71884378) is [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate?
The canonical SMILES for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate is CC(=O)N1CCc2cc(NC(=O)COC(=O)c3cccc(CO)c3)ccc21.
What is the InChIKey of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate?
The InChIKey is YZPQJJZRWKHAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13(24)22-8-7-15-10-17(5-6-18(15)22)21-19(25)12-27-20(26)16-4-2-3-14(9-16)11-23/h2-6,9-10,23H,7-8,11-12H2,1H3,(H,21,25).
What are the key properties of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate?
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(hydroxymethyl)benzoate has a molecular weight of 368.39 g/mol, XLogP of 1.88, 5 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] 3-(hydroxymethyl)benzoate is sourced from PubChem (CID 71884378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).