N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide

C23H25NO2 — CID 3628910

IUPACN-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C23H25NO2/c1-4-5-6-18-8-11-20(12-9-18)24-23(25)22-14-13-21(26-22)19-10-7-16(2)17(3)15-19/h7-15H,4-6H2,1-3H3,(H,24,25)
InChIKeyMPCJMIHXRWLBKT-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.16
Rot. Bonds6

About N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide

N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 3628910) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
PubChem CID3628910
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC NameN-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C23H25NO2/c1-4-5-6-18-8-11-20(12-9-18)24-23(25)22-14-13-21(26-22)19-10-7-16(2)17(3)15-19/h7-15H,4-6H2,1-3H3,(H,24,25)
InChIKeyMPCJMIHXRWLBKT-UHFFFAOYSA-N
XLogP6.16
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3556398
5-(3,4-dimethylphenyl)-N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 3942055
N-[(4-chlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3913723
ethyl 4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoate
CID 3371575
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide (CID 3628910) is N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide is CCCCc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is MPCJMIHXRWLBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-4-5-6-18-8-11-20(12-9-18)24-23(25)22-14-13-21(26-22)19-10-7-16(2)17(3)15-19/h7-15H,4-6H2,1-3H3,(H,24,25).
What are the key properties of N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide?
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3628910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).