benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate

C20H23NO3 — CID 146573027

IUPACbenzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)Oc1ccc2c(c1)N(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C20H23NO3/c1-20(2,3)24-17-10-9-16-11-12-21(18(16)13-17)19(22)23-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
InChIKeyJBDYNBRWXLUEJE-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.56
Rot. Bonds3

About benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate

benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate (PubChem CID 146573027) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate
PubChem CID146573027
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)Oc1ccc2c(c1)N(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C20H23NO3/c1-20(2,3)24-17-10-9-16-11-12-21(18(16)13-17)19(22)23-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
InChIKeyJBDYNBRWXLUEJE-UHFFFAOYSA-N
XLogP4.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-[2-oxo-2-(phenylmethoxyamino)ethyl]-2,3-dihydroindole-1-carboxylate
CID 89464407
tert-butyl 5-(4-phenylmethoxyphenyl)-2,3-dihydroindole-1-carboxylate
CID 58020909
1-O-benzyl 8-O-tert-butyl 6-methyl-3,4,6,7,9,10-hexahydro-2H-pyrido[2,3-h][3]benzazepine-1,8-dicarboxylate
CID 66982565
tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate
CID 90299291
benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 67237120
benzyl 7-chlorosulfonyl-5-methyl-2,3-dihydroindole-1-carboxylate
CID 130309981
benzyl 8-bromo-6-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 69056945
benzyl 6-iodo-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 66992993
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate
CID 22162806
1-O-benzyl 7-O-ethyl 5-oxo-3,4-dihydro-2H-1-benzazepine-1,7-dicarboxylate
CID 162403341
benzyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58015350
benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
CID 170624508

Frequently Asked Questions

What is the IUPAC name of benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate (CID 146573027) is benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate is CC(C)(C)Oc1ccc2c(c1)N(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate?
The InChIKey is JBDYNBRWXLUEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)24-17-10-9-16-11-12-21(18(16)13-17)19(22)23-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate?
benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 146573027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).