tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate

C18H26N2O3 — CID 75516887

IUPACtert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(NC3CCCOC3)ccc21
InChIInChI=1S/C18H26N2O3/c1-18(2,3)23-17(21)20-9-8-13-11-14(6-7-16(13)20)19-15-5-4-10-22-12-15/h6-7,11,15,19H,4-5,8-10,12H2,1-3H3
InChIKeySVZKTYJLRJBYCD-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate

tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate (PubChem CID 75516887) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate
PubChem CID75516887
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(NC3CCCOC3)ccc21
InChIInChI=1S/C18H26N2O3/c1-18(2,3)23-17(21)20-9-8-13-11-14(6-7-16(13)20)19-15-5-4-10-22-12-15/h6-7,11,15,19H,4-5,8-10,12H2,1-3H3
InChIKeySVZKTYJLRJBYCD-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate (CID 75516887) is tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2cc(NC3CCCOC3)ccc21.
What is the InChIKey of tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate?
The InChIKey is SVZKTYJLRJBYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)23-17(21)20-9-8-13-11-14(6-7-16(13)20)19-15-5-4-10-22-12-15/h6-7,11,15,19H,4-5,8-10,12H2,1-3H3.
What are the key properties of tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 75516887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).