tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate

C24H33N3O3 — CID 58433091

IUPACtert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(CC)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H33N3O3/c1-6-10-16-13-19(25-15-16)21-14-17-11-8-9-12-20(17)27(21)22(28)18(7-2)26-23(29)30-24(3,4)5/h8-9,11-12,15,18,21H,6-7,10,13-14H2,1-5H3,(H,26,29)
InChIKeyPRPSOXBLTPCZGF-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.78
Rot. Bonds6

About tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate

tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate (PubChem CID 58433091) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate
PubChem CID58433091
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Nametert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(CC)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H33N3O3/c1-6-10-16-13-19(25-15-16)21-14-17-11-8-9-12-20(17)27(21)22(28)18(7-2)26-23(29)30-24(3,4)5/h8-9,11-12,15,18,21H,6-7,10,13-14H2,1-5H3,(H,26,29)
InChIKeyPRPSOXBLTPCZGF-UHFFFAOYSA-N
XLogP4.78
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(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
N-[2-(dimethylamino)ethyl]-9,9a-dihydro-4aH-pyrido[3,4-b]indole-1-carboxamide
CID 44383422
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 N-[4-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]butyl]carbamate
CID 137633049
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-(2,2-dimethyl-2,3-dihydro-1H-indol-3-yl)carbamate
CID 126836442
Tert-butyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876304
tert-butyl N-(1-benzyl-2-oxo-3H-indol-3-yl)carbamate
CID 152341675
N-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 18165330
tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate
CID 122141638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate (CID 58433091) is tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate is CCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(CC)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate?
The InChIKey is PRPSOXBLTPCZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-6-10-16-13-19(25-15-16)21-14-17-11-8-9-12-20(17)27(21)22(28)18(7-2)26-23(29)30-24(3,4)5/h8-9,11-12,15,18,21H,6-7,10,13-14H2,1-5H3,(H,26,29).
What are the key properties of tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate?
tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate has a molecular weight of 411.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 58433091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).