N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide

C21H21NO3 — CID 19465597

IUPACN-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)Nc3c(C)cccc3C)o2)c1
InChIInChI=1S/C21H21NO3/c1-14-6-4-9-17(12-14)24-13-18-10-11-19(25-18)21(23)22-20-15(2)7-5-8-16(20)3/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyORVHNGVJEHKSIF-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.04
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide

N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19465597) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19465597
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)Nc3c(C)cccc3C)o2)c1
InChIInChI=1S/C21H21NO3/c1-14-6-4-9-17(12-14)24-13-18-10-11-19(25-18)21(23)22-20-15(2)7-5-8-16(20)3/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyORVHNGVJEHKSIF-UHFFFAOYSA-N
XLogP5.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465568
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 4899963
5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19465579
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 82109245
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
5-[(3-chlorophenoxy)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-carboxamide
CID 19446268
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465565

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (CID 19465597) is N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(OCc2ccc(C(=O)Nc3c(C)cccc3C)o2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is ORVHNGVJEHKSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14-6-4-9-17(12-14)24-13-18-10-11-19(25-18)21(23)22-20-15(2)7-5-8-16(20)3/h4-12H,13H2,1-3H3,(H,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19465597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).