tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate

C21H27NO4 — CID 15610119

IUPACtert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate
SMILESCC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C21H27NO4/c1-20(2,3)25-18(23)17(22-19(24)26-21(4,5)6)16-13-9-11-14-10-7-8-12-15(14)16/h7-13,17H,1-6H3,(H,22,24)
InChIKeyFWAMTQIGJWUPIJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.75
Rot. Bonds3

About tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate (PubChem CID 15610119) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate
PubChem CID15610119
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate
SMILESCC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C21H27NO4/c1-20(2,3)25-18(23)17(22-19(24)26-21(4,5)6)16-13-9-11-14-10-7-8-12-15(14)16/h7-13,17H,1-6H3,(H,22,24)
InChIKeyFWAMTQIGJWUPIJ-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate?
The IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate (CID 15610119) is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate.
What is the SMILES notation for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate?
The canonical SMILES for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate is CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate?
The InChIKey is FWAMTQIGJWUPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-20(2,3)25-18(23)17(22-19(24)26-21(4,5)6)16-13-9-11-14-10-7-8-12-15(14)16/h7-13,17H,1-6H3,(H,22,24).
What are the key properties of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate?
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate has a molecular weight of 357.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetate is sourced from PubChem (CID 15610119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).