8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C34H41N3O3 — CID 21046344

IUPAC8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cc2c(cc1Cc1ccc(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C34H41N3O3/c1-23-19-27-28(33(4,5)14-13-32(27,2)3)21-24(23)20-26-11-12-29(40-26)30(38)36-17-15-34(16-18-36)31(39)35-22-37(34)25-9-7-6-8-10-25/h6-12,19,21H,13-18,20,22H2,1-5H3,(H,35,39)
InChIKeyMJEPTNCBCBQBIP-UHFFFAOYSA-N
MW539.72 g/mol
LogP6.10
Rot. Bonds4

About 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 21046344) has the molecular formula C34H41N3O3 and a molecular weight of 539.72 g/mol. Its IUPAC name is 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID21046344
Molecular FormulaC34H41N3O3
Molecular Weight539.72 g/mol
Exact Mass539.31
IUPAC Name8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cc2c(cc1Cc1ccc(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C34H41N3O3/c1-23-19-27-28(33(4,5)14-13-32(27,2)3)21-24(23)20-26-11-12-29(40-26)30(38)36-17-15-34(16-18-36)31(39)35-22-37(34)25-9-7-6-8-10-25/h6-12,19,21H,13-18,20,22H2,1-5H3,(H,35,39)
InChIKeyMJEPTNCBCBQBIP-UHFFFAOYSA-N
XLogP6.10
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

(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
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-yl]methanone
CID 21046343
N-[1-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]acetamide
CID 21046750
(3-methylpiperidin-1-yl)-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-yl]methanone
CID 21045568
(2S)-1-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxamide
CID 58696940
1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 123222639
N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047698
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
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156925
N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048047
N-(1-hydroxy-3-phenylpropan-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046764
N-[2-(benzylcarbamoyl)phenyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047255

Frequently Asked Questions

What is the IUPAC name of 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 21046344) is 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is Cc1cc2c(cc1Cc1ccc(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is MJEPTNCBCBQBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O3/c1-23-19-27-28(33(4,5)14-13-32(27,2)3)21-24(23)20-26-11-12-29(40-26)30(38)36-17-15-34(16-18-36)31(39)35-22-37(34)25-9-7-6-8-10-25/h6-12,19,21H,13-18,20,22H2,1-5H3,(H,35,39).
What are the key properties of 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 539.72 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 21046344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).