N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide

C32H33NO3 — CID 21046851

IUPACN-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
SMILESCc1cc2c(cc1C(=O)c1ccc(C(=O)NCc3cccc4ccccc34)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C32H33NO3/c1-20-17-25-26(32(4,5)16-15-31(25,2)3)18-24(20)29(34)27-13-14-28(36-27)30(35)33-19-22-11-8-10-21-9-6-7-12-23(21)22/h6-14,17-18H,15-16,19H2,1-5H3,(H,33,35)
InChIKeyYABDVANNHLWLKG-UHFFFAOYSA-N
MW479.62 g/mol
LogP7.25
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide

N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide (PubChem CID 21046851) has the molecular formula C32H33NO3 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
PubChem CID21046851
Molecular FormulaC32H33NO3
Molecular Weight479.62 g/mol
Exact Mass479.25
IUPAC NameN-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
SMILESCc1cc2c(cc1C(=O)c1ccc(C(=O)NCc3cccc4ccccc34)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C32H33NO3/c1-20-17-25-26(32(4,5)16-15-31(25,2)3)18-24(20)29(34)27-13-14-28(36-27)30(35)33-19-22-11-8-10-21-9-6-7-12-23(21)22/h6-14,17-18H,15-16,19H2,1-5H3,(H,33,35)
InChIKeyYABDVANNHLWLKG-UHFFFAOYSA-N
XLogP7.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(naphthalen-1-ylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046852
N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
CID 21048143
5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 21045708
N-[(2-chlorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047293
N-[[2-[2-(hydroxymethyl)phenoxy]phenyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046965
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 21046086
N-[2-(benzylcarbamoyl)phenyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047255
N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 60675809
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 21045842
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 21046280
N-[[4-(dimethylamino)phenyl]methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-N-propan-2-ylfuran-2-carboxamide
CID 21047946
N-[1-(3,4-dimethoxyphenyl)but-3-enyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
CID 21046712

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide (CID 21046851) is N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide is Cc1cc2c(cc1C(=O)c1ccc(C(=O)NCc3cccc4ccccc34)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide?
The InChIKey is YABDVANNHLWLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO3/c1-20-17-25-26(32(4,5)16-15-31(25,2)3)18-24(20)29(34)27-13-14-28(36-27)30(35)33-19-22-11-8-10-21-9-6-7-12-23(21)22/h6-14,17-18H,15-16,19H2,1-5H3,(H,33,35).
What are the key properties of N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide?
N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 7.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide is sourced from PubChem (CID 21046851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).