tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate

C21H27N3O3 — CID 58433120

IUPACtert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
SMILESCCC1=CN=C(C2Cc3ccccc3N2C(=O)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H27N3O3/c1-5-14-10-16(22-12-14)18-11-15-8-6-7-9-17(15)24(18)19(25)13-23-20(26)27-21(2,3)4/h6-9,12,18H,5,10-11,13H2,1-4H3,(H,23,26)
InChIKeyFTQMMXYAQAQUGI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.61
Rot. Bonds4

About tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate (PubChem CID 58433120) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
PubChem CID58433120
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Nametert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
SMILESCCC1=CN=C(C2Cc3ccccc3N2C(=O)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H27N3O3/c1-5-14-10-16(22-12-14)18-11-15-8-6-7-9-17(15)24(18)19(25)13-23-20(26)27-21(2,3)4/h6-9,12,18H,5,10-11,13H2,1-4H3,(H,23,26)
InChIKeyFTQMMXYAQAQUGI-UHFFFAOYSA-N
XLogP3.61
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

Indoline, 1-(diisopropylamino)acetyl-, hydrochloride
CID 43101
Tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 2997548
tert-butyl (2S)-2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 2562241
tert-butyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate
CID 5279411
tert-butyl N-(2,2-dimethyl-2,3-dihydro-1H-indol-3-yl)carbamate
CID 126836442
tert-butyl (2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxylate
CID 168345815
tert-butyl N-(1-benzyl-2-oxo-3H-indol-3-yl)carbamate
CID 152341675
2-[3-(Dimethylamino)propylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3229651
tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate
CID 122141638
tert-butyl N-[(3R)-2,2-dimethyl-1,3-dihydroindol-3-yl]carbamate
CID 125511548
tert-butyl 2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindole-1-carboxylate
CID 58433070
2-amino-1-[2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindol-1-yl]ethanone
CID 58433079

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate (CID 58433120) is tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate is CCC1=CN=C(C2Cc3ccccc3N2C(=O)CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The InChIKey is FTQMMXYAQAQUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-14-10-16(22-12-14)18-11-15-8-6-7-9-17(15)24(18)19(25)13-23-20(26)27-21(2,3)4/h6-9,12,18H,5,10-11,13H2,1-4H3,(H,23,26).
What are the key properties of tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate has a molecular weight of 369.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 58433120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).