5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide

C23H27N3O6 — CID 10160509

IUPAC5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc(C(C)(C)C)ccc3C)o2)c(OC)n1
InChIInChI=1S/C23H27N3O6/c1-13-8-9-14(23(2,3)4)12-16(13)32-17-11-10-15(31-17)19(27)24-18-20(28-5)25-22(30-7)26-21(18)29-6/h8-12H,1-7H3,(H,24,27)
InChIKeyDKIIUMIGYYDFGZ-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.75
Rot. Bonds7

About 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide

5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide (PubChem CID 10160509) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
PubChem CID10160509
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc(C(C)(C)C)ccc3C)o2)c(OC)n1
InChIInChI=1S/C23H27N3O6/c1-13-8-9-14(23(2,3)4)12-16(13)32-17-11-10-15(31-17)19(27)24-18-20(28-5)25-22(30-7)26-21(18)29-6/h8-12H,1-7H3,(H,24,27)
InChIKeyDKIIUMIGYYDFGZ-UHFFFAOYSA-N
XLogP4.75
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide (CID 10160509) is 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide is COc1nc(OC)c(NC(=O)c2ccc(Oc3cc(C(C)(C)C)ccc3C)o2)c(OC)n1.
What is the InChIKey of 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The InChIKey is DKIIUMIGYYDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-13-8-9-14(23(2,3)4)12-16(13)32-17-11-10-15(31-17)19(27)24-18-20(28-5)25-22(30-7)26-21(18)29-6/h8-12H,1-7H3,(H,24,27).
What are the key properties of 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 10160509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).