N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide

C36H41NO2 — CID 58696882

IUPACN-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)N(Cc3ccccc3)[C@@H](C)c3ccccc3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C36H41NO2/c1-25-21-31-32(36(5,6)20-19-35(31,3)4)23-29(25)22-30-17-18-33(39-30)34(38)37(24-27-13-9-7-10-14-27)26(2)28-15-11-8-12-16-28/h7-18,21,23,26H,19-20,22,24H2,1-6H3/t26-/m0/s1
InChIKeyWVHCIVBHHLGRIF-SANMLTNESA-N
MW519.73 g/mol
LogP8.93
Rot. Bonds7

About N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide

N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide (PubChem CID 58696882) has the molecular formula C36H41NO2 and a molecular weight of 519.73 g/mol. Its IUPAC name is N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
PubChem CID58696882
Molecular FormulaC36H41NO2
Molecular Weight519.73 g/mol
Exact Mass519.31
IUPAC NameN-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)N(Cc3ccccc3)[C@@H](C)c3ccccc3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C36H41NO2/c1-25-21-31-32(36(5,6)20-19-35(31,3)4)23-29(25)22-30-17-18-33(39-30)34(38)37(24-27-13-9-7-10-14-27)26(2)28-15-11-8-12-16-28/h7-18,21,23,26H,19-20,22,24H2,1-6H3/t26-/m0/s1
InChIKeyWVHCIVBHHLGRIF-SANMLTNESA-N
XLogP8.93
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[benzyl-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]acetate
CID 21046510
N,N-bis(2-hydroxyethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048436
N-benzyl-N-(2-morpholin-4-ylethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048292
N-(1-benzylpyrrolidin-3-yl)-N-[(4-hydroxyphenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046778
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
CID 21045748
N-[(4-nitrophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-propylfuran-2-carboxamide
CID 21048049
N-[(2-chlorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047293
(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-yl]methanone
CID 21045697
N-(naphthalen-1-ylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046852
N-(4-methyl-5-phenyl-1H-pyrrol-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 90754447
N-[2-(benzylcarbamoyl)phenyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047255
N-[2-(2,6-dichlorophenyl)ethyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046912

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide (CID 58696882) is N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide is Cc1cc2c(cc1Cc1ccc(C(=O)N(Cc3ccccc3)[C@@H](C)c3ccccc3)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
The InChIKey is WVHCIVBHHLGRIF-SANMLTNESA-N. The full InChI is InChI=1S/C36H41NO2/c1-25-21-31-32(36(5,6)20-19-35(31,3)4)23-29(25)22-30-17-18-33(39-30)34(38)37(24-27-13-9-7-10-14-27)26(2)28-15-11-8-12-16-28/h7-18,21,23,26H,19-20,22,24H2,1-6H3/t26-/m0/s1.
What are the key properties of N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide?
N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide has a molecular weight of 519.73 g/mol, XLogP of 8.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 58696882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).