tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate

C17H25N3O3 — CID 122141638

IUPACtert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate
SMILESCN(C)C(=O)CN1CCc2cccc(NC(=O)OC(C)(C)C)c21
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)18-13-8-6-7-12-9-10-20(15(12)13)11-14(21)19(4)5/h6-8H,9-11H2,1-5H3,(H,18,22)
InChIKeyKYZINTYCNFRDOG-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate

tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate (PubChem CID 122141638) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate
PubChem CID122141638
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nametert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate
SMILESCN(C)C(=O)CN1CCc2cccc(NC(=O)OC(C)(C)C)c21
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)18-13-8-6-7-12-9-10-20(15(12)13)11-14(21)19(4)5/h6-8H,9-11H2,1-5H3,(H,18,22)
InChIKeyKYZINTYCNFRDOG-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate (CID 122141638) is tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate is CN(C)C(=O)CN1CCc2cccc(NC(=O)OC(C)(C)C)c21.
What is the InChIKey of tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate?
The InChIKey is KYZINTYCNFRDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)18-13-8-6-7-12-9-10-20(15(12)13)11-14(21)19(4)5/h6-8H,9-11H2,1-5H3,(H,18,22).
What are the key properties of tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate?
tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate has a molecular weight of 319.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydroindol-7-yl]carbamate is sourced from PubChem (CID 122141638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).