tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate

C22H26ClNO2 — CID 59581954

IUPACtert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C22H26ClNO2/c1-22(2,3)26-21(25)24(4)20-14-16(18-10-5-6-11-19(18)20)12-15-8-7-9-17(23)13-15/h5-11,13,16,20H,12,14H2,1-4H3/t16-,20-/m1/s1
InChIKeyHHLPFNHIBOVGST-OXQOHEQNSA-N
MW371.91 g/mol
LogP5.98
Rot. Bonds3

About tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate

tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate (PubChem CID 59581954) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
PubChem CID59581954
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Nametert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C22H26ClNO2/c1-22(2,3)26-21(25)24(4)20-14-16(18-10-5-6-11-19(18)20)12-15-8-7-9-17(23)13-15/h5-11,13,16,20H,12,14H2,1-4H3/t16-,20-/m1/s1
InChIKeyHHLPFNHIBOVGST-OXQOHEQNSA-N
XLogP5.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate 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-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate (CID 59581954) is tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](Cc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The InChIKey is HHLPFNHIBOVGST-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H26ClNO2/c1-22(2,3)26-21(25)24(4)20-14-16(18-10-5-6-11-19(18)20)12-15-8-7-9-17(23)13-15/h5-11,13,16,20H,12,14H2,1-4H3/t16-,20-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate has a molecular weight of 371.91 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R)-3-[(3-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate is sourced from PubChem (CID 59581954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).