N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide

C28H33NO4 — CID 142192125

IUPACN-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide
SMILESCCc1c(C)ccc(OC)c1NC(=O)c1ccc(Oc2ccc3c(c2)C(C)CCC3(C)C)o1
InChIInChI=1S/C28H33NO4/c1-7-20-17(2)8-11-23(31-6)26(20)29-27(30)24-12-13-25(33-24)32-19-9-10-22-21(16-19)18(3)14-15-28(22,4)5/h8-13,16,18H,7,14-15H2,1-6H3,(H,29,30)
InChIKeyPYICKAICJWGSCO-UHFFFAOYSA-N
MW447.58 g/mol
LogP7.38
Rot. Bonds6

About N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide

N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide (PubChem CID 142192125) has the molecular formula C28H33NO4 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide
PubChem CID142192125
Molecular FormulaC28H33NO4
Molecular Weight447.58 g/mol
Exact Mass447.24
IUPAC NameN-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide
SMILESCCc1c(C)ccc(OC)c1NC(=O)c1ccc(Oc2ccc3c(c2)C(C)CCC3(C)C)o1
InChIInChI=1S/C28H33NO4/c1-7-20-17(2)8-11-23(31-6)26(20)29-27(30)24-12-13-25(33-24)32-19-9-10-22-21(16-19)18(3)14-15-28(22,4)5/h8-13,16,18H,7,14-15H2,1-6H3,(H,29,30)
InChIKeyPYICKAICJWGSCO-UHFFFAOYSA-N
XLogP7.38
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
CID 10139658
N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide
CID 21047975
N-[4-(2-(19F)fluoroethylamino)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 86293113
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 10301106
5-(3-piperidin-4-ylphenoxy)-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 10182522
N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 166167909
5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 11329981
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
2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
CID 84632926
N-[2-[3-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-oxopropyl]sulfanyl-4,6-dimethoxypyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 171803915
N-(2,6-dimethoxy-4-methylphenyl)-5-(2-methyl-6-propylphenoxy)furan-2-carboxamide
CID 142192176
5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 11260771

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide (CID 142192125) is N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide is CCc1c(C)ccc(OC)c1NC(=O)c1ccc(Oc2ccc3c(c2)C(C)CCC3(C)C)o1.
What is the InChIKey of N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide?
The InChIKey is PYICKAICJWGSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4/c1-7-20-17(2)8-11-23(31-6)26(20)29-27(30)24-12-13-25(33-24)32-19-9-10-22-21(16-19)18(3)14-15-28(22,4)5/h8-13,16,18H,7,14-15H2,1-6H3,(H,29,30).
What are the key properties of N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide?
N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 7.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methoxy-3-methylphenyl)-5-[(5,5,8-trimethyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 142192125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).