N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide

C27H31NO4 — CID 21048143

IUPACN-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)o1
InChIInChI=1S/C27H31NO4/c1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)24(29)22-9-10-23(32-22)25(30)28-15-18-8-7-17(2)31-18/h7-10,13-14H,11-12,15H2,1-6H3,(H,28,30)
InChIKeyFTHDYTAAJYCHOW-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.00
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide

N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide (PubChem CID 21048143) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
PubChem CID21048143
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)o1
InChIInChI=1S/C27H31NO4/c1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)24(29)22-9-10-23(32-22)25(30)28-15-18-8-7-17(2)31-18/h7-10,13-14H,11-12,15H2,1-6H3,(H,28,30)
InChIKeyFTHDYTAAJYCHOW-UHFFFAOYSA-N
XLogP6.00
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(naphthalen-1-ylmethyl)-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
CID 21046851
5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 21045708
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
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 21045842
N-[(2-chlorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047293
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 58696848
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)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046852
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
N-(cyclohexylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048323
N-(2-hydroxy-3,5-dimethylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047410

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide (CID 21048143) is N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(C(=O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide?
The InChIKey is FTHDYTAAJYCHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-16-13-20-21(27(5,6)12-11-26(20,3)4)14-19(16)24(29)22-9-10-23(32-22)25(30)28-15-18-8-7-17(2)31-18/h7-10,13-14H,11-12,15H2,1-6H3,(H,28,30).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide is sourced from PubChem (CID 21048143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).