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

C20H30N2O4 — CID 59615667

IUPACtert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
SMILESCC1CCc2ccc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc21
InChIInChI=1S/C20H30N2O4/c1-13-8-9-14-10-11-15(12-16(13)14)22(18(24)26-20(5,6)7)21-17(23)25-19(2,3)4/h10-13H,8-9H2,1-7H3,(H,21,23)
InChIKeyASZMOTNVGDMWOE-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.92
Rot. Bonds1

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

tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate (PubChem CID 59615667) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
PubChem CID59615667
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
SMILESCC1CCc2ccc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc21
InChIInChI=1S/C20H30N2O4/c1-13-8-9-14-10-11-15(12-16(13)14)22(18(24)26-20(5,6)7)21-17(23)25-19(2,3)4/h10-13H,8-9H2,1-7H3,(H,21,23)
InChIKeyASZMOTNVGDMWOE-UHFFFAOYSA-N
XLogP4.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate?
The IUPAC name of tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate (CID 59615667) is tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate is CC1CCc2ccc(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc21.
What is the InChIKey of tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate?
The InChIKey is ASZMOTNVGDMWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-13-8-9-14-10-11-15(12-16(13)14)22(18(24)26-20(5,6)7)21-17(23)25-19(2,3)4/h10-13H,8-9H2,1-7H3,(H,21,23).
What are the key properties of tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate?
tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate has a molecular weight of 362.47 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate is sourced from PubChem (CID 59615667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).