tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate

C28H36N2O5 — CID 71045853

IUPACtert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate
SMILESCC(=O)N1CCc2cc(C(=O)CCCCN(CCc3ccccc3O)C(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C28H36N2O5/c1-20(31)30-18-15-22-19-23(12-13-24(22)30)26(33)11-7-8-16-29(27(34)35-28(2,3)4)17-14-21-9-5-6-10-25(21)32/h5-6,9-10,12-13,19,32H,7-8,11,14-18H2,1-4H3
InChIKeyRNHMZYAZHNGFHN-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.13
Rot. Bonds9

About tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate

tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate (PubChem CID 71045853) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate
PubChem CID71045853
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Nametert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate
SMILESCC(=O)N1CCc2cc(C(=O)CCCCN(CCc3ccccc3O)C(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C28H36N2O5/c1-20(31)30-18-15-22-19-23(12-13-24(22)30)26(33)11-7-8-16-29(27(34)35-28(2,3)4)17-14-21-9-5-6-10-25(21)32/h5-6,9-10,12-13,19,32H,7-8,11,14-18H2,1-4H3
InChIKeyRNHMZYAZHNGFHN-UHFFFAOYSA-N
XLogP5.13
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate 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

methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519396
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
tert-butyl N-[5-oxo-5-[7-(propan-2-ylsulfamoyl)-2,3-dihydro-1-benzofuran-5-yl]pentyl]-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]carbamate
CID 58870462
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
tert-butyl N-[[1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidin-4-yl]methyl]carbamate
CID 52819846
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 34717716
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
CID 94724136
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496
4-chloro-1-[1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 95412014

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate (CID 71045853) is tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate is CC(=O)N1CCc2cc(C(=O)CCCCN(CCc3ccccc3O)C(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate?
The InChIKey is RNHMZYAZHNGFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-20(31)30-18-15-22-19-23(12-13-24(22)30)26(33)11-7-8-16-29(27(34)35-28(2,3)4)17-14-21-9-5-6-10-25(21)32/h5-6,9-10,12-13,19,32H,7-8,11,14-18H2,1-4H3.
What are the key properties of tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate?
tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate has a molecular weight of 480.61 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopentyl]-N-[2-(2-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 71045853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).