2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate

C24H30N2O4 — CID 19761425

IUPAC2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)COC(=O)N1c2ccccc2CC1c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C24H30N2O4/c1-16(2)15-29-23(28)26-20-13-9-6-10-17(20)14-21(26)18-11-7-8-12-19(18)25-22(27)30-24(3,4)5/h6-13,16,21H,14-15H2,1-5H3,(H,25,27)
InChIKeyAGKWMQIUUWAQIC-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.93
Rot. Bonds4

About 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate

2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 19761425) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate
PubChem CID19761425
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)COC(=O)N1c2ccccc2CC1c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C24H30N2O4/c1-16(2)15-29-23(28)26-20-13-9-6-10-17(20)14-21(26)18-11-7-8-12-19(18)25-22(27)30-24(3,4)5/h6-13,16,21H,14-15H2,1-5H3,(H,25,27)
InChIKeyAGKWMQIUUWAQIC-UHFFFAOYSA-N
XLogP5.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-[2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]phenyl]carbamate
CID 178195106
tert-butyl N-[3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]carbamate
CID 110427478
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181
tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260
tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
CID 134952104
benzyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2,3-dihydroindole-2-carboxylate
CID 86612047
tert-butyl N-[(3S)-1-[2-(methoxyamino)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868947
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734554

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate (CID 19761425) is 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate is CC(C)COC(=O)N1c2ccccc2CC1c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is AGKWMQIUUWAQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(2)15-29-23(28)26-20-13-9-6-10-17(20)14-21(26)18-11-7-8-12-19(18)25-22(27)30-24(3,4)5/h6-13,16,21H,14-15H2,1-5H3,(H,25,27).
What are the key properties of 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate?
2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 19761425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).