tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate

C23H28N2O4 — CID 66910020

IUPACtert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)OC(C)(C)C)ccc1-2
InChIInChI=1S/C23H28N2O4/c1-22(2,3)28-20(26)24-16-7-9-18-14(12-16)11-15-13-17(8-10-19(15)18)25-21(27)29-23(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,24,26)(H,25,27)
InChIKeySIESPOFABWAKDJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.95
Rot. Bonds2

About tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate

tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate (PubChem CID 66910020) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate
PubChem CID66910020
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nametert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)OC(C)(C)C)ccc1-2
InChIInChI=1S/C23H28N2O4/c1-22(2,3)28-20(26)24-16-7-9-18-14(12-16)11-15-13-17(8-10-19(15)18)25-21(27)29-23(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,24,26)(H,25,27)
InChIKeySIESPOFABWAKDJ-UHFFFAOYSA-N
XLogP5.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate?
The IUPAC name of tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate (CID 66910020) is tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)OC(C)(C)C)ccc1-2.
What is the InChIKey of tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate?
The InChIKey is SIESPOFABWAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-22(2,3)28-20(26)24-16-7-9-18-14(12-16)11-15-13-17(8-10-19(15)18)25-21(27)29-23(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate?
tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate has a molecular weight of 396.49 g/mol, XLogP of 5.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-fluoren-2-yl]carbamate is sourced from PubChem (CID 66910020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).