N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

C23H26N2O2 — CID 4281117

IUPACN-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C23H26N2O2/c1-5-25(6-2)20-11-9-19(10-12-20)24-23(26)22-14-13-21(27-22)18-8-7-16(3)17(4)15-18/h7-15H,5-6H2,1-4H3,(H,24,26)
InChIKeyWTIOAMAOKZKOBG-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.66
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 4281117) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
PubChem CID4281117
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C23H26N2O2/c1-5-25(6-2)20-11-9-19(10-12-20)24-23(26)22-14-13-21(27-22)18-8-7-16(3)17(4)15-18/h7-15H,5-6H2,1-4H3,(H,24,26)
InChIKeyWTIOAMAOKZKOBG-UHFFFAOYSA-N
XLogP5.66
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
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
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383889
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
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-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide (CID 4281117) is N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is WTIOAMAOKZKOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-5-25(6-2)20-11-9-19(10-12-20)24-23(26)22-14-13-21(27-22)18-8-7-16(3)17(4)15-18/h7-15H,5-6H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 4281117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).