tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate

C21H23N3O5 — CID 71213219

IUPACtert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccc(Oc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C21H23N3O5/c1-21(2,3)29-20(27)22-12-19(26)23-14-4-6-15(7-5-14)28-16-8-9-17-13(10-16)11-18(25)24-17/h4-10H,11-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyDIQZELQYEVIATL-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate (PubChem CID 71213219) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate
PubChem CID71213219
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Nametert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccc(Oc2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C21H23N3O5/c1-21(2,3)29-20(27)22-12-19(26)23-14-4-6-15(7-5-14)28-16-8-9-17-13(10-16)11-18(25)24-17/h4-10H,11-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyDIQZELQYEVIATL-UHFFFAOYSA-N
XLogP3.44
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]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

[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647151
N-[(2S)-3-hydroxy-1-oxo-1-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]propan-2-yl]-methylboronamidic acid
CID 58818233
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
CID 103821832
N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344890
tert-butyl N-[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]carbamate
CID 108916974
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
CID 134311773
tert-butyl N-[[2-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719799
N-(4-chlorophenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112997954
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate (CID 71213219) is tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccc(Oc2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate?
The InChIKey is DIQZELQYEVIATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-21(2,3)29-20(27)22-12-19(26)23-14-4-6-15(7-5-14)28-16-8-9-17-13(10-16)11-18(25)24-17/h4-10H,11-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate has a molecular weight of 397.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate is sourced from PubChem (CID 71213219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).