propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate

C25H30N2O5 — CID 3943973

IUPACpropan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate
SMILESCC(C)OC(=O)COc1ccc2c(c1)OC1(CC2c2ccccc2)CC(C)(C)NC(=O)N1
InChIInChI=1S/C25H30N2O5/c1-16(2)31-22(28)14-30-18-10-11-19-20(17-8-6-5-7-9-17)13-25(32-21(19)12-18)15-24(3,4)26-23(29)27-25/h5-12,16,20H,13-15H2,1-4H3,(H2,26,27,29)
InChIKeyLLCNPMHOLRSWJH-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.11
Rot. Bonds5

About propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate

propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate (PubChem CID 3943973) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate
PubChem CID3943973
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namepropan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate
SMILESCC(C)OC(=O)COc1ccc2c(c1)OC1(CC2c2ccccc2)CC(C)(C)NC(=O)N1
InChIInChI=1S/C25H30N2O5/c1-16(2)31-22(28)14-30-18-10-11-19-20(17-8-6-5-7-9-17)13-25(32-21(19)12-18)15-24(3,4)26-23(29)27-25/h5-12,16,20H,13-15H2,1-4H3,(H2,26,27,29)
InChIKeyLLCNPMHOLRSWJH-UHFFFAOYSA-N
XLogP4.11
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate?
The IUPAC name of propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate (CID 3943973) is propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate.
What is the SMILES notation for propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate?
The canonical SMILES for propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate is CC(C)OC(=O)COc1ccc2c(c1)OC1(CC2c2ccccc2)CC(C)(C)NC(=O)N1.
What is the InChIKey of propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate?
The InChIKey is LLCNPMHOLRSWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-16(2)31-22(28)14-30-18-10-11-19-20(17-8-6-5-7-9-17)13-25(32-21(19)12-18)15-24(3,4)26-23(29)27-25/h5-12,16,20H,13-15H2,1-4H3,(H2,26,27,29).
What are the key properties of propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate?
propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate has a molecular weight of 438.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4,4-dimethyl-2-oxo-4'-phenylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl)oxyacetate is sourced from PubChem (CID 3943973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).