1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione

C14H22N2O4 — CID 155957383

IUPAC1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCC1(CN2CCC(=O)N(CC3(C)COC3)C2=O)COC1
InChIInChI=1S/C14H22N2O4/c1-13(7-19-8-13)5-15-4-3-11(17)16(12(15)18)6-14(2)9-20-10-14/h3-10H2,1-2H3
InChIKeyBRTNIXVRGBJEDN-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.71
Rot. Bonds4

About 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione

1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 155957383) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione
PubChem CID155957383
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCC1(CN2CCC(=O)N(CC3(C)COC3)C2=O)COC1
InChIInChI=1S/C14H22N2O4/c1-13(7-19-8-13)5-15-4-3-11(17)16(12(15)18)6-14(2)9-20-10-14/h3-10H2,1-2H3
InChIKeyBRTNIXVRGBJEDN-UHFFFAOYSA-N
XLogP0.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione (CID 155957383) is 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione is CC1(CN2CCC(=O)N(CC3(C)COC3)C2=O)COC1.
What is the InChIKey of 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is BRTNIXVRGBJEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(7-19-8-13)5-15-4-3-11(17)16(12(15)18)6-14(2)9-20-10-14/h3-10H2,1-2H3.
What are the key properties of 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione?
1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3-methyloxetan-3-yl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 155957383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).