tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate

C25H31N3O6 — CID 132512143

IUPACtert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate
SMILESCCOC(=O)NC1([C@@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H31N3O6/c1-7-33-23(31)27-25(18-13-8-9-14-19(18)28(5)21(25)29)20(26-22(30)34-24(2,3)4)16-11-10-12-17(15-16)32-6/h8-15,20H,7H2,1-6H3,(H,26,30)(H,27,31)/t20-,25?/m0/s1
InChIKeyAMAOUAJRSSSZHQ-JINQPTGOSA-N
MW469.54 g/mol
LogP3.88
Rot. Bonds6

About tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate

tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate (PubChem CID 132512143) has the molecular formula C25H31N3O6 and a molecular weight of 469.54 g/mol. Its IUPAC name is tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate
PubChem CID132512143
Molecular FormulaC25H31N3O6
Molecular Weight469.54 g/mol
Exact Mass469.22
IUPAC Nametert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate
SMILESCCOC(=O)NC1([C@@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H31N3O6/c1-7-33-23(31)27-25(18-13-8-9-14-19(18)28(5)21(25)29)20(26-22(30)34-24(2,3)4)16-11-10-12-17(15-16)32-6/h8-15,20H,7H2,1-6H3,(H,26,30)(H,27,31)/t20-,25?/m0/s1
InChIKeyAMAOUAJRSSSZHQ-JINQPTGOSA-N
XLogP3.88
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]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

tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate
CID 132512144
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 70799961
tert-butyl N-[(R)-[(1S)-1-diethoxyphosphoryl-2-oxocyclopentyl]-(3-methoxyphenyl)methyl]carbamate
CID 102475270
methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 72737084
(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7010245
tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate
CID 115052979
(4-methoxyphenyl)methyl 2-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-3-(4-methoxyphenyl)sulfanyl-2-methyl-3-oxopropanoate
CID 122393951
tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
CID 86767626
tert-butyl N-[3-[hydroxy-(3-methoxyphenyl)methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 155220792
tert-butyl N-[(3R)-3-diphenoxyphosphoryl-1-methyl-2-oxoindol-3-yl]carbamate
CID 102500658
tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate (CID 132512143) is tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate is CCOC(=O)NC1([C@@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)C(=O)N(C)c2ccccc21.
What is the InChIKey of tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate?
The InChIKey is AMAOUAJRSSSZHQ-JINQPTGOSA-N. The full InChI is InChI=1S/C25H31N3O6/c1-7-33-23(31)27-25(18-13-8-9-14-19(18)28(5)21(25)29)20(26-22(30)34-24(2,3)4)16-11-10-12-17(15-16)32-6/h8-15,20H,7H2,1-6H3,(H,26,30)(H,27,31)/t20-,25?/m0/s1.
What are the key properties of tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate?
tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate has a molecular weight of 469.54 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(S)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 132512143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).