2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate

C23H27NO6 — CID 151536364

IUPAC2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1
InChIInChI=1S/C23H27NO6/c1-23(2,3)30-21(27)16-9-7-15(8-10-16)14-24-18-5-4-6-20(26)17(18)13-19(24)22(28)29-12-11-25/h7-10,13,25H,4-6,11-12,14H2,1-3H3
InChIKeyPXNYTZSHZHGROV-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.16
Rot. Bonds6

About 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate

2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate (PubChem CID 151536364) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
PubChem CID151536364
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Name2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1
InChIInChI=1S/C23H27NO6/c1-23(2,3)30-21(27)16-9-7-15(8-10-16)14-24-18-5-4-6-20(26)17(18)13-19(24)22(28)29-12-11-25/h7-10,13,25H,4-6,11-12,14H2,1-3H3
InChIKeyPXNYTZSHZHGROV-UHFFFAOYSA-N
XLogP3.16
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate (CID 151536364) is 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is CC(C)(C)OC(=O)c1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1.
What is the InChIKey of 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The InChIKey is PXNYTZSHZHGROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO6/c1-23(2,3)30-21(27)16-9-7-15(8-10-16)14-24-18-5-4-6-20(26)17(18)13-19(24)22(28)29-12-11-25/h7-10,13,25H,4-6,11-12,14H2,1-3H3.
What are the key properties of 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is sourced from PubChem (CID 151536364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).