tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate

C25H29N3O3 — CID 58433074

IUPACtert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC1C1=Nc2ccccc2C1
InChIInChI=1S/C25H29N3O3/c1-5-18(27-24(30)31-25(2,3)4)23(29)28-21-13-9-7-11-17(21)15-22(28)20-14-16-10-6-8-12-19(16)26-20/h6-13,18,22H,5,14-15H2,1-4H3,(H,27,30)
InChIKeyQIIPCOIBGSJAGD-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.58
Rot. Bonds4

About tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 58433074) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID58433074
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Nametert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC1C1=Nc2ccccc2C1
InChIInChI=1S/C25H29N3O3/c1-5-18(27-24(30)31-25(2,3)4)23(29)28-21-13-9-7-11-17(21)15-22(28)20-14-16-10-6-8-12-19(16)26-20/h6-13,18,22H,5,14-15H2,1-4H3,(H,27,30)
InChIKeyQIIPCOIBGSJAGD-UHFFFAOYSA-N
XLogP4.58
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
N-(2-Oxo-1-phenethyl-2,3-dihydro-1H-indol-3-yl)-acetamide
CID 646107
N-(sec-butyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
CID 15992383
2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 16301731
N-methyl-1-(2-phenylacetyl)indoline-2-carboxamide
CID 18587977
tert-butyl (R)-1-((R)-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate
CID 23642326
tert-butyl N-[4-[(3S)-1-[5-(hydroxyamino)-5-oxopentyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butyl]carbamate
CID 137641263
(1-[(3-[(2,3-dihydro-2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)methyl]-2,3-dihydro-1H-indol-1-yl) carbonyl]-3-methylbutyl]-carbamic acid-1,1-dimethylethyl ester
CID 21246577
Tert-butyl 2-[[4-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214455
N-[2-(4-Methylphenyl)ethyl]-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide
CID 16027621
N-[(4-Ethylphenyl)methyl]-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide
CID 16027722
tert-butyl (R)-1-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylamino)-1-oxopropan-2-ylcarbamate
CID 44442615

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate (CID 58433074) is tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate is CCC(NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC1C1=Nc2ccccc2C1.
What is the InChIKey of tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is QIIPCOIBGSJAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-5-18(27-24(30)31-25(2,3)4)23(29)28-21-13-9-7-11-17(21)15-22(28)20-14-16-10-6-8-12-19(16)26-20/h6-13,18,22H,5,14-15H2,1-4H3,(H,27,30).
What are the key properties of tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 419.53 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 58433074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).