tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate

C25H29N3O3 — CID 58433069

IUPACtert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCc1ccc2c(c1)N=C(C1Cc3ccccc3N1C(=O)C(C)NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C25H29N3O3/c1-15-10-11-17-13-20(27-19(17)12-15)22-14-18-8-6-7-9-21(18)28(22)23(29)16(2)26-24(30)31-25(3,4)5/h6-12,16,22H,13-14H2,1-5H3,(H,26,30)
InChIKeyINVOTEWERILAGN-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.49
Rot. Bonds3

About tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 58433069) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID58433069
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Nametert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCc1ccc2c(c1)N=C(C1Cc3ccccc3N1C(=O)C(C)NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C25H29N3O3/c1-15-10-11-17-13-20(27-19(17)12-15)22-14-18-8-6-7-9-21(18)28(22)23(29)16(2)26-24(30)31-25(3,4)5/h6-12,16,22H,13-14H2,1-5H3,(H,26,30)
InChIKeyINVOTEWERILAGN-UHFFFAOYSA-N
XLogP4.49
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471946
Tert-butyl 2-[[2,5-bis(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 49863273
(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
1-(6-benzyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 90251742
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
Tert-butyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214456
Tert-butyl 2-[(2,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 551021
Tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate
CID 46214117
Tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214291
Tert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214293
Tert-butyl 2-[(3,5-dimethylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214623
Tert-butyl 2-[(2,5-dimethylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214624

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate (CID 58433069) is tert-butyl N-[1-[2-(6-methyl-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-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate is Cc1ccc2c(c1)N=C(C1Cc3ccccc3N1C(=O)C(C)NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is INVOTEWERILAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-15-10-11-17-13-20(27-19(17)12-15)22-14-18-8-6-7-9-21(18)28(22)23(29)16(2)26-24(30)31-25(3,4)5/h6-12,16,22H,13-14H2,1-5H3,(H,26,30).
What are the key properties of tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[2-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 419.53 g/mol, XLogP of 4.49, 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-(6-methyl-3H-indol-2-yl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 58433069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).