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

C24H27N3O3 — CID 58433062

IUPACtert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC1C1=Nc2ccccc2C1
InChIInChI=1S/C24H27N3O3/c1-15(25-23(29)30-24(2,3)4)22(28)27-20-12-8-6-10-17(20)14-21(27)19-13-16-9-5-7-11-18(16)26-19/h5-12,15,21H,13-14H2,1-4H3,(H,25,29)
InChIKeyDBIVHMGPDCVPLM-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.19
Rot. Bonds3

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

tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 58433062) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID58433062
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nametert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC1C1=Nc2ccccc2C1
InChIInChI=1S/C24H27N3O3/c1-15(25-23(29)30-24(2,3)4)22(28)27-20-12-8-6-10-17(20)14-21(27)19-13-16-9-5-7-11-18(16)26-19/h5-12,15,21H,13-14H2,1-4H3,(H,25,29)
InChIKeyDBIVHMGPDCVPLM-UHFFFAOYSA-N
XLogP4.19
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
(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 (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
N-benzhydryl-2-(2,3-dihydroindol-1-yl)acetamide
CID 4566096
2-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)acetamide
CID 5203469
2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 16301728
N-(4-fluorophenyl)-2-[methyl-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]acetamide
CID 16301732
2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16323085
tert-butyl N-[1-[2-[[4-(1,1-difluoroethyl)phenyl]carbamoyl]-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
CID 49862924
N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide
CID 52949047
tert-butyl N-[(2S)-1-[(3R)-3-[[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-2,3-dihydroindol-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 70689205

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate (CID 58433062) is tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate is CC(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-oxopropan-2-yl]carbamate?
The InChIKey is DBIVHMGPDCVPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15(25-23(29)30-24(2,3)4)22(28)27-20-12-8-6-10-17(20)14-21(27)19-13-16-9-5-7-11-18(16)26-19/h5-12,15,21H,13-14H2,1-4H3,(H,25,29).
What are the key properties of tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[2-(3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 405.50 g/mol, XLogP of 4.19, 3 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-oxopropan-2-yl]carbamate is sourced from PubChem (CID 58433062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).