tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate

C19H25NO4 — CID 53439126

IUPACtert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate
SMILESCCOC(=O)C(C)(C)c1cc2ccccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H25NO4/c1-7-23-16(21)19(5,6)15-12-13-10-8-9-11-14(13)20(15)17(22)24-18(2,3)4/h8-12H,7H2,1-6H3
InChIKeyNZOVAJBBBHAQKY-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate

tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate (PubChem CID 53439126) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate
PubChem CID53439126
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nametert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate
SMILESCCOC(=O)C(C)(C)c1cc2ccccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H25NO4/c1-7-23-16(21)19(5,6)15-12-13-10-8-9-11-14(13)20(15)17(22)24-18(2,3)4/h8-12H,7H2,1-6H3
InChIKeyNZOVAJBBBHAQKY-UHFFFAOYSA-N
XLogP4.27
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate (CID 53439126) is tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate is CCOC(=O)C(C)(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate?
The InChIKey is NZOVAJBBBHAQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-7-23-16(21)19(5,6)15-12-13-10-8-9-11-14(13)20(15)17(22)24-18(2,3)4/h8-12H,7H2,1-6H3.
What are the key properties of tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate?
tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-ethoxy-2-methyl-1-oxopropan-2-yl)indole-1-carboxylate is sourced from PubChem (CID 53439126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).