N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide

C28H32FNO5 — CID 118911988

IUPACN-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide
SMILESCOc1cc(OCCF)cc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)CCC3(C)C)o1
InChIInChI=1S/C28H32FNO5/c1-17-12-18-8-9-28(2,3)22(18)14-19(17)13-20-6-7-23(35-20)27(31)30-26-24(32-4)15-21(34-11-10-29)16-25(26)33-5/h6-7,12,14-16H,8-11,13H2,1-5H3,(H,30,31)
InChIKeyZBZPUDRDOFJRGS-UHFFFAOYSA-N
MW481.56 g/mol
LogP6.02
Rot. Bonds9

About N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide

N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide (PubChem CID 118911988) has the molecular formula C28H32FNO5 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide
PubChem CID118911988
Molecular FormulaC28H32FNO5
Molecular Weight481.56 g/mol
Exact Mass481.23
IUPAC NameN-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide
SMILESCOc1cc(OCCF)cc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)CCC3(C)C)o1
InChIInChI=1S/C28H32FNO5/c1-17-12-18-8-9-28(2,3)22(18)14-19(17)13-20-6-7-23(35-20)27(31)30-26-24(32-4)15-21(34-11-10-29)16-25(26)33-5/h6-7,12,14-16H,8-11,13H2,1-5H3,(H,30,31)
InChIKeyZBZPUDRDOFJRGS-UHFFFAOYSA-N
XLogP6.02
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(dimethylamino)propylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide
CID 20745798
N-[4-(2-(19F)fluoroethylamino)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 86293113
N-(3,5-dimethoxy-2,6-dinitrophenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047595
methyl 3-hydroperoxy-4,5-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046556
[3-hydroxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]phenyl] 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxylate
CID 21045565
N-(2-cyano-4,5-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047296
N-(4,6-dimethoxypyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047840
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047063
N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048002
N-(2,4-dichloro-6-methylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047138
N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047206

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide (CID 118911988) is N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide is COc1cc(OCCF)cc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)CCC3(C)C)o1.
What is the InChIKey of N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide?
The InChIKey is ZBZPUDRDOFJRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FNO5/c1-17-12-18-8-9-28(2,3)22(18)14-19(17)13-20-6-7-23(35-20)27(31)30-26-24(32-4)15-21(34-11-10-29)16-25(26)33-5/h6-7,12,14-16H,8-11,13H2,1-5H3,(H,30,31).
What are the key properties of N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide?
N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 118911988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).