N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

C24H27NO3 — CID 21047425

IUPACN-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(O)c1NC(=O)c1ccc(Cc2c(C)c(C)c(C)c(C)c2C)o1
InChIInChI=1S/C24H27NO3/c1-13-8-7-9-21(26)23(13)25-24(27)22-11-10-19(28-22)12-20-17(5)15(3)14(2)16(4)18(20)6/h7-11,26H,12H2,1-6H3,(H,25,27)
InChIKeyKLOWJDYLKBNOOJ-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.68
Rot. Bonds4

About N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047425) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
PubChem CID21047425
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(O)c1NC(=O)c1ccc(Cc2c(C)c(C)c(C)c(C)c2C)o1
InChIInChI=1S/C24H27NO3/c1-13-8-7-9-21(26)23(13)25-24(27)22-11-10-19(28-22)12-20-17(5)15(3)14(2)16(4)18(20)6/h7-11,26H,12H2,1-6H3,(H,25,27)
InChIKeyKLOWJDYLKBNOOJ-UHFFFAOYSA-N
XLogP5.68
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-6-methylphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047427
N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21048235
N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047104
5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 82109245
5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide
CID 21046193
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047673
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21048003
N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047479
N-(4-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048030
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
5-[(2,3,4,5,6-pentamethylphenyl)methyl]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 21045903

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (CID 21047425) is N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is Cc1cccc(O)c1NC(=O)c1ccc(Cc2c(C)c(C)c(C)c(C)c2C)o1.
What is the InChIKey of N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is KLOWJDYLKBNOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-13-8-7-9-21(26)23(13)25-24(27)22-11-10-19(28-22)12-20-17(5)15(3)14(2)16(4)18(20)6/h7-11,26H,12H2,1-6H3,(H,25,27).
What are the key properties of N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 377.48 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).