tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate

C23H36N2O4 — CID 59615693

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C23H36N2O4/c1-20(2,3)28-18(26)24-25(19(27)29-21(4,5)6)15-11-12-16-17(13-15)23(9,10)14-22(16,7)8/h11-13H,14H2,1-10H3,(H,24,26)
InChIKeySZHVTBIWYCXTDF-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.83
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate (PubChem CID 59615693) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate
PubChem CID59615693
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C23H36N2O4/c1-20(2,3)28-18(26)24-25(19(27)29-21(4,5)6)15-11-12-16-17(13-15)23(9,10)14-22(16,7)8/h11-13H,14H2,1-10H3,(H,24,26)
InChIKeySZHVTBIWYCXTDF-UHFFFAOYSA-N
XLogP5.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)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-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate (CID 59615693) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate is CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2c(c1)C(C)(C)CC2(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate?
The InChIKey is SZHVTBIWYCXTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-20(2,3)28-18(26)24-25(19(27)29-21(4,5)6)15-11-12-16-17(13-15)23(9,10)14-22(16,7)8/h11-13H,14H2,1-10H3,(H,24,26).
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate has a molecular weight of 404.55 g/mol, XLogP of 5.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)carbamate is sourced from PubChem (CID 59615693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).