N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide

C24H27NO5 — CID 142192176

IUPACN-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide
SMILESCCCc1cccc(C)c1Oc1ccc(C(=O)Nc2c(OC)cc(C)cc2OC)o1
InChIInChI=1S/C24H27NO5/c1-6-8-17-10-7-9-16(3)23(17)30-21-12-11-18(29-21)24(26)25-22-19(27-4)13-15(2)14-20(22)28-5/h7,9-14H,6,8H2,1-5H3,(H,25,26)
InChIKeyXYRFTLAEXGJHIW-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.91
Rot. Bonds8

About N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide

N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide (PubChem CID 142192176) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide
PubChem CID142192176
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC NameN-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide
SMILESCCCc1cccc(C)c1Oc1ccc(C(=O)Nc2c(OC)cc(C)cc2OC)o1
InChIInChI=1S/C24H27NO5/c1-6-8-17-10-7-9-16(3)23(17)30-21-12-11-18(29-21)24(26)25-22-19(27-4)13-15(2)14-20(22)28-5/h7,9-14H,6,8H2,1-5H3,(H,25,26)
InChIKeyXYRFTLAEXGJHIW-UHFFFAOYSA-N
XLogP5.91
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide?
The IUPAC name of N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide (CID 142192176) is N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide?
The canonical SMILES for N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide is CCCc1cccc(C)c1Oc1ccc(C(=O)Nc2c(OC)cc(C)cc2OC)o1.
What is the InChIKey of N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide?
The InChIKey is XYRFTLAEXGJHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-6-8-17-10-7-9-16(3)23(17)30-21-12-11-18(29-21)24(26)25-22-19(27-4)13-15(2)14-20(22)28-5/h7,9-14H,6,8H2,1-5H3,(H,25,26).
What are the key properties of N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide?
N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 142192176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).