tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate

C28H36N2O3 — CID 68523289

IUPACtert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate
SMILESCN(CCC(c1ccccc1)N1C(=O)C2(CCCCC2)c2ccccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C28H36N2O3/c1-27(2,3)33-26(32)29(4)20-17-23(21-13-7-5-8-14-21)30-24-16-10-9-15-22(24)28(25(30)31)18-11-6-12-19-28/h5,7-10,13-16,23H,6,11-12,17-20H2,1-4H3
InChIKeyHONFSPZFAYQBPS-UHFFFAOYSA-N
MW448.61 g/mol
LogP6.23
Rot. Bonds5

About tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate

tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate (PubChem CID 68523289) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate
PubChem CID68523289
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Nametert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate
SMILESCN(CCC(c1ccccc1)N1C(=O)C2(CCCCC2)c2ccccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C28H36N2O3/c1-27(2,3)33-26(32)29(4)20-17-23(21-13-7-5-8-14-21)30-24-16-10-9-15-22(24)28(25(30)31)18-11-6-12-19-28/h5,7-10,13-16,23H,6,11-12,17-20H2,1-4H3
InChIKeyHONFSPZFAYQBPS-UHFFFAOYSA-N
XLogP6.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]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-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate (CID 68523289) is tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate is CN(CCC(c1ccccc1)N1C(=O)C2(CCCCC2)c2ccccc21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate?
The InChIKey is HONFSPZFAYQBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3/c1-27(2,3)33-26(32)29(4)20-17-23(21-13-7-5-8-14-21)30-24-16-10-9-15-22(24)28(25(30)31)18-11-6-12-19-28/h5,7-10,13-16,23H,6,11-12,17-20H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate?
tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate has a molecular weight of 448.61 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate is sourced from PubChem (CID 68523289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).