tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate

C26H31N3O5 — CID 10928722

IUPACtert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESCOCCN1c2ccccc2C[C@H]1C(=O)NC(=O)[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H31N3O5/c1-26(2,3)34-25(32)29-20-12-8-6-10-18(20)16-22(29)24(31)27-23(30)21-15-17-9-5-7-11-19(17)28(21)13-14-33-4/h5-12,21-22H,13-16H2,1-4H3,(H,27,30,31)/t21-,22-/m0/s1
InChIKeyJEPZQCGWBWYHSD-VXKWHMMOSA-N
MW465.55 g/mol
LogP3.07
Rot. Bonds5

About tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate

tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 10928722) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
PubChem CID10928722
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Nametert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESCOCCN1c2ccccc2C[C@H]1C(=O)NC(=O)[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H31N3O5/c1-26(2,3)34-25(32)29-20-12-8-6-10-18(20)16-22(29)24(31)27-23(30)21-15-17-9-5-7-11-19(17)28(21)13-14-33-4/h5-12,21-22H,13-16H2,1-4H3,(H,27,30,31)/t21-,22-/m0/s1
InChIKeyJEPZQCGWBWYHSD-VXKWHMMOSA-N
XLogP3.07
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate (CID 10928722) is tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate is COCCN1c2ccccc2C[C@H]1C(=O)NC(=O)[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is JEPZQCGWBWYHSD-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-26(2,3)34-25(32)29-20-12-8-6-10-18(20)16-22(29)24(31)27-23(30)21-15-17-9-5-7-11-19(17)28(21)13-14-33-4/h5-12,21-22H,13-16H2,1-4H3,(H,27,30,31)/t21-,22-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate?
tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(2S)-1-(2-methoxyethyl)-2,3-dihydroindole-2-carbonyl]carbamoyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 10928722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).