N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide

C28H33NO5 — CID 10139658

IUPACN-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1
InChIInChI=1S/C28H33NO5/c1-17-15-18-19(28(4,5)14-13-27(18,2)3)16-23(17)34-24-12-11-22(33-24)26(30)29-25-20(31-6)9-8-10-21(25)32-7/h8-12,15-16H,13-14H2,1-7H3,(H,29,30)
InChIKeyYDPRVCFOPMOPJK-UHFFFAOYSA-N
MW463.57 g/mol
LogP7.00
Rot. Bonds6

About N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide

N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide (PubChem CID 10139658) has the molecular formula C28H33NO5 and a molecular weight of 463.57 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
PubChem CID10139658
Molecular FormulaC28H33NO5
Molecular Weight463.57 g/mol
Exact Mass463.24
IUPAC NameN-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1
InChIInChI=1S/C28H33NO5/c1-17-15-18-19(28(4,5)14-13-27(18,2)3)16-23(17)34-24-12-11-22(33-24)26(30)29-25-20(31-6)9-8-10-21(25)32-7/h8-12,15-16H,13-14H2,1-7H3,(H,29,30)
InChIKeyYDPRVCFOPMOPJK-UHFFFAOYSA-N
XLogP7.00
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.57
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[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
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 10301106
aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium
CID 166167986
N-(2,4,6-trimethoxyphenyl)-5-[(1,1,5-trimethyl-2,3-dihydro-1-benzosilol-6-yl)oxy]furan-2-carboxamide
CID 11294292
N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide
CID 58877586
N-(2,6-dimethoxyphenyl)-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)oxy]furan-2-carboxamide
CID 69454718
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
5-quinolin-8-yloxy-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 10273631
[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-(3,5-dimethoxy-2,6-dinitrophenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047595

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide (CID 10139658) is N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide is COc1cccc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide?
The InChIKey is YDPRVCFOPMOPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO5/c1-17-15-18-19(28(4,5)14-13-27(18,2)3)16-23(17)34-24-12-11-22(33-24)26(30)29-25-20(31-6)9-8-10-21(25)32-7/h8-12,15-16H,13-14H2,1-7H3,(H,29,30).
What are the key properties of N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide?
N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide has a molecular weight of 463.57 g/mol, XLogP of 7.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 10139658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).