4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C19H19NO7 — CID 142666118

IUPAC4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)Oc1cccocc2ccoc2cc2oc1=2
InChIInChI=1S/C19H19NO7/c1-19(2,3)27-18(22)20-10-16(21)25-13-5-4-7-23-11-12-6-8-24-14(12)9-15-17(13)26-15/h4-9,11H,10H2,1-3H3,(H,20,22)/b7-4+,12-11?,13-5+,14-9-
InChIKeyZGDYJKPSKBRGST-AESYRUICSA-N
MW373.36 g/mol
LogP3.90
Rot. Bonds3

About 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 142666118) has the molecular formula C19H19NO7 and a molecular weight of 373.36 g/mol. Its IUPAC name is 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID142666118
Molecular FormulaC19H19NO7
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)Oc1cccocc2ccoc2cc2oc1=2
InChIInChI=1S/C19H19NO7/c1-19(2,3)27-18(22)20-10-16(21)25-13-5-4-7-23-11-12-6-8-24-14(12)9-15-17(13)26-15/h4-9,11H,10H2,1-3H3,(H,20,22)/b7-4+,12-11?,13-5+,14-9-
InChIKeyZGDYJKPSKBRGST-AESYRUICSA-N
XLogP3.90
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 142666118) is 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)Oc1cccocc2ccoc2cc2oc1=2.
What is the InChIKey of 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is ZGDYJKPSKBRGST-AESYRUICSA-N. The full InChI is InChI=1S/C19H19NO7/c1-19(2,3)27-18(22)20-10-16(21)25-13-5-4-7-23-11-12-6-8-24-14(12)9-15-17(13)26-15/h4-9,11H,10H2,1-3H3,(H,20,22)/b7-4+,12-11?,13-5+,14-9-.
What are the key properties of 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 373.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,15-trioxatricyclo[10.3.0.03,5]pentadeca-1,3(5),6,8,11,13-hexaen-6-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 142666118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).