tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate

C22H30N2O3 — CID 158764252

IUPACtert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate
SMILESCC(C)C1C2=C(CCN1C(=O)CNC(=O)OC(C)(C)C)c1ccccc1C2
InChIInChI=1S/C22H30N2O3/c1-14(2)20-18-12-15-8-6-7-9-16(15)17(18)10-11-24(20)19(25)13-23-21(26)27-22(3,4)5/h6-9,14,20H,10-13H2,1-5H3,(H,23,26)
InChIKeyNMDMFTXGZNNAKT-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.78
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate

tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate (PubChem CID 158764252) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate
PubChem CID158764252
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Nametert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate
SMILESCC(C)C1C2=C(CCN1C(=O)CNC(=O)OC(C)(C)C)c1ccccc1C2
InChIInChI=1S/C22H30N2O3/c1-14(2)20-18-12-15-8-6-7-9-16(15)17(18)10-11-24(20)19(25)13-23-21(26)27-22(3,4)5/h6-9,14,20H,10-13H2,1-5H3,(H,23,26)
InChIKeyNMDMFTXGZNNAKT-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate (CID 158764252) is tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate is CC(C)C1C2=C(CCN1C(=O)CNC(=O)OC(C)(C)C)c1ccccc1C2.
What is the InChIKey of tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate?
The InChIKey is NMDMFTXGZNNAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14(2)20-18-12-15-8-6-7-9-16(15)17(18)10-11-24(20)19(25)13-23-21(26)27-22(3,4)5/h6-9,14,20H,10-13H2,1-5H3,(H,23,26).
What are the key properties of tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 158764252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).