N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide

C22H23NO2 — CID 16650691

IUPACN-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H23NO2/c1-3-4-8-17-11-13-19(14-12-17)23-22(24)20-15-21(25-16(20)2)18-9-6-5-7-10-18/h5-7,9-15H,3-4,8H2,1-2H3,(H,23,24)
InChIKeyTWSSALCWSSYMEI-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.85
Rot. Bonds6

About N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide

N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 16650691) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID16650691
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H23NO2/c1-3-4-8-17-11-13-19(14-12-17)23-22(24)20-15-21(25-16(20)2)18-9-6-5-7-10-18/h5-7,9-15H,3-4,8H2,1-2H3,(H,23,24)
InChIKeyTWSSALCWSSYMEI-UHFFFAOYSA-N
XLogP5.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
2-methyl-5-phenyl-N-(3-propoxyphenyl)furan-3-carboxamide
CID 2864448
butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
CID 16650811
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
butyl 4-[[5-(4-fluorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16650910
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
5-[4-(difluoromethoxy)phenyl]-2-methyl-N-phenylfuran-3-carboxamide
CID 141116560

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide (CID 16650691) is N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide is CCCCc1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is TWSSALCWSSYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-4-8-17-11-13-19(14-12-17)23-22(24)20-15-21(25-16(20)2)18-9-6-5-7-10-18/h5-7,9-15H,3-4,8H2,1-2H3,(H,23,24).
What are the key properties of N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 16650691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).