tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate

C26H33N3O7 — CID 132512144

IUPACtert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate
SMILESCCOC(=O)NC1([C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)c(OC)c2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C26H33N3O7/c1-8-35-24(32)28-26(17-11-9-10-12-18(17)29(5)22(26)30)21(27-23(31)36-25(2,3)4)16-13-14-19(33-6)20(15-16)34-7/h9-15,21H,8H2,1-7H3,(H,27,31)(H,28,32)/t21-,26?/m0/s1
InChIKeyXUXOAGPVCSLQRV-GVNKFJBHSA-N
MW499.56 g/mol
LogP3.89
Rot. Bonds7

About tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate

tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate (PubChem CID 132512144) has the molecular formula C26H33N3O7 and a molecular weight of 499.56 g/mol. Its IUPAC name is tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate
PubChem CID132512144
Molecular FormulaC26H33N3O7
Molecular Weight499.56 g/mol
Exact Mass499.23
IUPAC Nametert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate
SMILESCCOC(=O)NC1([C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)c(OC)c2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C26H33N3O7/c1-8-35-24(32)28-26(17-11-9-10-12-18(17)29(5)22(26)30)21(27-23(31)36-25(2,3)4)16-13-14-19(33-6)20(15-16)34-7/h9-15,21H,8H2,1-7H3,(H,27,31)(H,28,32)/t21-,26?/m0/s1
InChIKeyXUXOAGPVCSLQRV-GVNKFJBHSA-N
XLogP3.89
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]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-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]-(3-methoxyphenyl)methyl]carbamate
CID 132512143
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7010139
ethyl (2S,3S)-3-hydroxy-3-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102261237
tert-butyl N-[1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]carbamate
CID 135027360
tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
CID 102106113
tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
CID 134849816
ethyl N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]carbamate
CID 71477447
(2S,3R)-3-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylpropanoyl]amino]butanoic acid
CID 122228236
tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate
CID 11428749
ethyl N-(ethoxycarbonylamino)-N-(1-methyl-2-oxo-3-phenylindol-3-yl)carbamate
CID 177395092
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
methyl 2-[(1R)-1-[(3R)-1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoindol-3-yl]-2-methoxy-2-oxoethyl]-4-methylbenzoate
CID 154720893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate (CID 132512144) is tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate is CCOC(=O)NC1([C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)c(OC)c2)C(=O)N(C)c2ccccc21.
What is the InChIKey of tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate?
The InChIKey is XUXOAGPVCSLQRV-GVNKFJBHSA-N. The full InChI is InChI=1S/C26H33N3O7/c1-8-35-24(32)28-26(17-11-9-10-12-18(17)29(5)22(26)30)21(27-23(31)36-25(2,3)4)16-13-14-19(33-6)20(15-16)34-7/h9-15,21H,8H2,1-7H3,(H,27,31)(H,28,32)/t21-,26?/m0/s1.
What are the key properties of tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate?
tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate has a molecular weight of 499.56 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(S)-(3,4-dimethoxyphenyl)-[3-(ethoxycarbonylamino)-1-methyl-2-oxoindol-3-yl]methyl]carbamate is sourced from PubChem (CID 132512144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).