1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

C18H22ClN3O4 — CID 164629692

IUPAC1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)CN1CCC(=O)NC1=O
InChIInChI=1S/C18H22ClN3O4/c1-18(2)11-26-14(12-4-3-5-13(19)8-12)9-22(18)16(24)10-21-7-6-15(23)20-17(21)25/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,20,23,25)/t14-/m0/s1
InChIKeyBZHKLBYHBIKQEK-AWEZNQCLSA-N
MW379.84 g/mol
LogP1.96
Rot. Bonds3

About 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione (PubChem CID 164629692) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
PubChem CID164629692
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)CN1CCC(=O)NC1=O
InChIInChI=1S/C18H22ClN3O4/c1-18(2)11-26-14(12-4-3-5-13(19)8-12)9-22(18)16(24)10-21-7-6-15(23)20-17(21)25/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,20,23,25)/t14-/m0/s1
InChIKeyBZHKLBYHBIKQEK-AWEZNQCLSA-N
XLogP1.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione (CID 164629692) is 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione is CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)CN1CCC(=O)NC1=O.
What is the InChIKey of 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The InChIKey is BZHKLBYHBIKQEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-18(2)11-26-14(12-4-3-5-13(19)8-12)9-22(18)16(24)10-21-7-6-15(23)20-17(21)25/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,20,23,25)/t14-/m0/s1.
What are the key properties of 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione has a molecular weight of 379.84 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 164629692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).