N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide

C22H22N2O3 — CID 134054275

IUPACN-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-15-6-8-17(9-7-15)16(2)24(3)22(26)18-10-12-19(13-11-18)23-21(25)20-5-4-14-27-20/h4-14,16H,1-3H3,(H,23,25)
InChIKeyWBKIDXFUAFFHMZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.67
Rot. Bonds5

About N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 134054275) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID134054275
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-15-6-8-17(9-7-15)16(2)24(3)22(26)18-10-12-19(13-11-18)23-21(25)20-5-4-14-27-20/h4-14,16H,1-3H3,(H,23,25)
InChIKeyWBKIDXFUAFFHMZ-UHFFFAOYSA-N
XLogP4.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55389588
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
N-[4-[[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111621798

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 134054275) is N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is WBKIDXFUAFFHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-6-8-17(9-7-15)16(2)24(3)22(26)18-10-12-19(13-11-18)23-21(25)20-5-4-14-27-20/h4-14,16H,1-3H3,(H,23,25).
What are the key properties of N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 134054275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).