N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

C23H25NO3 — CID 21048133

IUPACN-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cc(C)c(Cc2ccc(C(=O)Nc3cc(CO)ccc3C)o2)c(C)c1
InChIInChI=1S/C23H25NO3/c1-14-9-16(3)20(17(4)10-14)12-19-7-8-22(27-19)23(26)24-21-11-18(13-25)6-5-15(21)2/h5-11,25H,12-13H2,1-4H3,(H,24,26)
InChIKeyRVCWNRDFBLBIPK-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.85
Rot. Bonds5

About N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21048133) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
PubChem CID21048133
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cc(C)c(Cc2ccc(C(=O)Nc3cc(CO)ccc3C)o2)c(C)c1
InChIInChI=1S/C23H25NO3/c1-14-9-16(3)20(17(4)10-14)12-19-7-8-22(27-19)23(26)24-21-11-18(13-25)6-5-15(21)2/h5-11,25H,12-13H2,1-4H3,(H,24,26)
InChIKeyRVCWNRDFBLBIPK-UHFFFAOYSA-N
XLogP4.85
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-6-methylphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047427
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047245
N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047863
ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047779
N-(4-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048030
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21046837
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047231
N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047643
ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
CID 21046433
methyl (2S)-4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pentanoate
CID 58696904
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048084

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (CID 21048133) is N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is Cc1cc(C)c(Cc2ccc(C(=O)Nc3cc(CO)ccc3C)o2)c(C)c1.
What is the InChIKey of N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is RVCWNRDFBLBIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-14-9-16(3)20(17(4)10-14)12-19-7-8-22(27-19)23(26)24-21-11-18(13-25)6-5-15(21)2/h5-11,25H,12-13H2,1-4H3,(H,24,26).
What are the key properties of N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).