N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

C23H24N2O4 — CID 38008396

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(COc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-4-8-18(9-5-16)24-22(26)14-25(3)23(27)21-13-12-20(29-21)15-28-19-10-6-17(2)7-11-19/h4-13H,14-15H2,1-3H3,(H,24,26)
InChIKeyGZQNGTYRZSJXKP-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.19
Rot. Bonds7

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 38008396) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID38008396
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(COc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-4-8-18(9-5-16)24-22(26)14-25(3)23(27)21-13-12-20(29-21)15-28-19-10-6-17(2)7-11-19/h4-13H,14-15H2,1-3H3,(H,24,26)
InChIKeyGZQNGTYRZSJXKP-UHFFFAOYSA-N
XLogP4.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42943143
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
CID 4030783
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (CID 38008396) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(COc3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is GZQNGTYRZSJXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-4-8-18(9-5-16)24-22(26)14-25(3)23(27)21-13-12-20(29-21)15-28-19-10-6-17(2)7-11-19/h4-13H,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 38008396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).