2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione

C20H24N2O2 — CID 10854213

IUPAC2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione
SMILES[2H]c1c([2H])c([2H])c(C(=O)C(C(C(=O)c2c([2H])c([2H])c([2H])c([2H])c2[2H])N(C)C)N(C)C)c([2H])c1[2H]
InChIInChI=1S/C20H24N2O2/c1-21(2)17(19(23)15-11-7-5-8-12-15)18(22(3)4)20(24)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3/i5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
InChIKeyJPPORXGMUJHWKP-FBOMCFBCSA-N
MW334.49 g/mol
LogP2.61
Rot. Bonds7

About 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione

2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione (PubChem CID 10854213) has the molecular formula C20H24N2O2 and a molecular weight of 334.49 g/mol. Its IUPAC name is 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione.

Molecular Properties

Compound Name2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione
PubChem CID10854213
Molecular FormulaC20H24N2O2
Molecular Weight334.49 g/mol
Exact Mass334.25
IUPAC Name2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione
SMILES[2H]c1c([2H])c([2H])c(C(=O)C(C(C(=O)c2c([2H])c([2H])c([2H])c([2H])c2[2H])N(C)C)N(C)C)c([2H])c1[2H]
InChIInChI=1S/C20H24N2O2/c1-21(2)17(19(23)15-11-7-5-8-12-15)18(22(3)4)20(24)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3/i5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
InChIKeyJPPORXGMUJHWKP-FBOMCFBCSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione?
The IUPAC name of 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione (CID 10854213) is 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione.
What is the SMILES notation for 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione?
The canonical SMILES for 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione is [2H]c1c([2H])c([2H])c(C(=O)C(C(C(=O)c2c([2H])c([2H])c([2H])c([2H])c2[2H])N(C)C)N(C)C)c([2H])c1[2H].
What is the InChIKey of 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione?
The InChIKey is JPPORXGMUJHWKP-FBOMCFBCSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21(2)17(19(23)15-11-7-5-8-12-15)18(22(3)4)20(24)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3/i5D,6D,7D,8D,9D,10D,11D,12D,13D,14D.
What are the key properties of 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione?
2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione has a molecular weight of 334.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(dimethylamino)-1,4-bis(2,3,4,5,6-pentadeuteriophenyl)butane-1,4-dione is sourced from PubChem (CID 10854213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).