About 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 157477353) has the molecular formula C62H66Br2N8O4
and a molecular weight of 1147.07 g/mol. Its IUPAC name is 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.
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Frequently Asked Questions
What is the IUPAC name of 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The IUPAC name of 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (CID 157477353) is 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.
What is the SMILES notation for 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The canonical SMILES for 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is CC(C)c1cc(Br)c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c(Br)c1.CCCCc1ccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c(C)c1.
What is the InChIKey of 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The InChIKey is BVTGEDRZGGEUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2.C30H30Br2N4O2/c1-3-4-7-24-10-14-30(23(2)20-24)34-32(37)35-31-15-13-27(28-8-5-6-9-29(28)31)25-11-12-26(33-21-25)22-36-16-18-38-19-17-36;1-19(2)21-15-26(31)29(27(32)16-21)35-30(37)34-28-10-9-23(24-5-3-4-6-25(24)28)20-7-8-22(33-17-20)18-36-11-13-38-14-12-36/h5-6,8-15,20-21H,3-4,7,16-19,22H2,1-2H3,(H2,34,35,37);3-10,15-17,19H,11-14,18H2,1-2H3,(H2,34,35,37).
What are the key properties of 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 1147.07 g/mol, XLogP of 15.06, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-2-methylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 157477353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).