N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide

C22H22N2O3 — CID 22587881

IUPACN-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C22H22N2O3/c1-3-16-6-4-5-7-19(16)24-22(26)20-13-12-18(27-20)14-23-21(25)17-10-8-15(2)9-11-17/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKUAJFAWYFLHRJP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.33
Rot. Bonds6

About N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide

N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide (PubChem CID 22587881) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
PubChem CID22587881
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C22H22N2O3/c1-3-16-6-4-5-7-19(16)24-22(26)20-13-12-18(27-20)14-23-21(25)17-10-8-15(2)9-11-17/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKUAJFAWYFLHRJP-UHFFFAOYSA-N
XLogP4.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587884
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713
N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587903
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-(2-ethylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 47176444
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
N-(2-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 110693633
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide (CID 22587881) is N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide is CCc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccc(C)cc2)o1.
What is the InChIKey of N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide?
The InChIKey is KUAJFAWYFLHRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-16-6-4-5-7-19(16)24-22(26)20-13-12-18(27-20)14-23-21(25)17-10-8-15(2)9-11-17/h4-13H,3,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide?
N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 22587881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).