(2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate

C22H22N2O6 — CID 2875932

IUPAC(2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
SMILESCc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O6/c1-14-21(24-22(28)23-14)18(25)8-4-5-9-19(26)29-13-20(27)30-17-11-10-15-6-2-3-7-16(15)12-17/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H2,23,24,28)
InChIKeySOCUIRPLHGONNZ-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.06
Rot. Bonds9

About (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate

(2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate (PubChem CID 2875932) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate.

Molecular Properties

Compound Name(2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
PubChem CID2875932
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name(2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
SMILESCc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O6/c1-14-21(24-22(28)23-14)18(25)8-4-5-9-19(26)29-13-20(27)30-17-11-10-15-6-2-3-7-16(15)12-17/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H2,23,24,28)
InChIKeySOCUIRPLHGONNZ-UHFFFAOYSA-N
XLogP3.06
TPSA118.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate?
The IUPAC name of (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate (CID 2875932) is (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate.
What is the SMILES notation for (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate?
The canonical SMILES for (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate is Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate?
The InChIKey is SOCUIRPLHGONNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-14-21(24-22(28)23-14)18(25)8-4-5-9-19(26)29-13-20(27)30-17-11-10-15-6-2-3-7-16(15)12-17/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H2,23,24,28).
What are the key properties of (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate?
(2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate has a molecular weight of 410.43 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yloxy-2-oxoethyl) 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate is sourced from PubChem (CID 2875932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).