7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one

C20H22N2O3 — CID 3806579

IUPAC7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one
SMILESCC1(C)CC2(CC(c3ccccc3)Oc3cc(O)ccc32)NC(=O)N1
InChIInChI=1S/C20H22N2O3/c1-19(2)12-20(22-18(24)21-19)11-17(13-6-4-3-5-7-13)25-16-10-14(23)8-9-15(16)20/h3-10,17,23H,11-12H2,1-2H3,(H2,21,22,24)
InChIKeyGNXPZCHKULPEET-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.59
Rot. Bonds1

About 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one

7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one (PubChem CID 3806579) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one.

Molecular Properties

Compound Name7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one
PubChem CID3806579
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one
SMILESCC1(C)CC2(CC(c3ccccc3)Oc3cc(O)ccc32)NC(=O)N1
InChIInChI=1S/C20H22N2O3/c1-19(2)12-20(22-18(24)21-19)11-17(13-6-4-3-5-7-13)25-16-10-14(23)8-9-15(16)20/h3-10,17,23H,11-12H2,1-2H3,(H2,21,22,24)
InChIKeyGNXPZCHKULPEET-UHFFFAOYSA-N
XLogP3.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one?
The IUPAC name of 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one (CID 3806579) is 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one.
What is the SMILES notation for 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one?
The canonical SMILES for 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one is CC1(C)CC2(CC(c3ccccc3)Oc3cc(O)ccc32)NC(=O)N1.
What is the InChIKey of 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one?
The InChIKey is GNXPZCHKULPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-19(2)12-20(22-18(24)21-19)11-17(13-6-4-3-5-7-13)25-16-10-14(23)8-9-15(16)20/h3-10,17,23H,11-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one?
7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-hydroxy-4,4-dimethyl-2'-phenylspiro[1,3-diazinane-6,4'-2,3-dihydrochromene]-2-one is sourced from PubChem (CID 3806579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).