5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide

C28H35N3O6 — CID 10279142

IUPAC5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)C(C)(C)C(C)CC4(C)C)o2)c(OC)n1
InChIInChI=1S/C28H35N3O6/c1-15-12-18-17(27(3,4)14-16(2)28(18,5)6)13-20(15)37-21-11-10-19(36-21)23(32)29-22-24(33-7)30-26(35-9)31-25(22)34-8/h10-13,16H,14H2,1-9H3,(H,29,32)
InChIKeyJTFNDUMPCFHPFC-UHFFFAOYSA-N
MW509.60 g/mol
LogP6.04
Rot. Bonds7

About 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide

5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide (PubChem CID 10279142) has the molecular formula C28H35N3O6 and a molecular weight of 509.60 g/mol. Its IUPAC name is 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
PubChem CID10279142
Molecular FormulaC28H35N3O6
Molecular Weight509.60 g/mol
Exact Mass509.25
IUPAC Name5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)C(C)(C)C(C)CC4(C)C)o2)c(OC)n1
InChIInChI=1S/C28H35N3O6/c1-15-12-18-17(27(3,4)14-16(2)28(18,5)6)13-20(15)37-21-11-10-19(36-21)23(32)29-22-24(33-7)30-26(35-9)31-25(22)34-8/h10-13,16H,14H2,1-9H3,(H,29,32)
InChIKeyJTFNDUMPCFHPFC-UHFFFAOYSA-N
XLogP6.04
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.60
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide (CID 10279142) is 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide is COc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)C(C)(C)C(C)CC4(C)C)o2)c(OC)n1.
What is the InChIKey of 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The InChIKey is JTFNDUMPCFHPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O6/c1-15-12-18-17(27(3,4)14-16(2)28(18,5)6)13-20(15)37-21-11-10-19(36-21)23(32)29-22-24(33-7)30-26(35-9)31-25(22)34-8/h10-13,16H,14H2,1-9H3,(H,29,32).
What are the key properties of 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide has a molecular weight of 509.60 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 10279142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).