N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide

C22H22N2O3 — CID 22587903

IUPACN-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C22H22N2O3/c1-14-4-7-17(8-5-14)21(25)23-13-19-10-11-20(27-19)22(26)24-18-9-6-15(2)16(3)12-18/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUMHKTOIQEUBIOK-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.39
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide

N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide (PubChem CID 22587903) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
PubChem CID22587903
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C22H22N2O3/c1-14-4-7-17(8-5-14)21(25)23-13-19-10-11-20(27-19)22(26)24-18-9-6-15(2)16(3)12-18/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUMHKTOIQEUBIOK-UHFFFAOYSA-N
XLogP4.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium
CID 7327033
[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium
CID 7499284
N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587881
N-(2-fluorophenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587884
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
N-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxamide
CID 22587908
5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide
CID 22587861
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200778
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide (CID 22587903) is N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide?
The InChIKey is UMHKTOIQEUBIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-4-7-17(8-5-14)21(25)23-13-19-10-11-20(27-19)22(26)24-18-9-6-15(2)16(3)12-18/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide?
N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 22587903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).