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

C21H21NO3 — CID 4002543

IUPAC5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C21H21NO3/c1-4-24-18-9-7-17(8-10-18)22-21(23)20-12-11-19(25-20)16-6-5-14(2)15(3)13-16/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyBLITVXPICHJEIV-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.21
Rot. Bonds5

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

5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide (PubChem CID 4002543) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
PubChem CID4002543
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C21H21NO3/c1-4-24-18-9-7-17(8-10-18)22-21(23)20-12-11-19(25-20)16-6-5-14(2)15(3)13-16/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyBLITVXPICHJEIV-UHFFFAOYSA-N
XLogP5.21
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylphenyl)-N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 3942055
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
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-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
ethyl 4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoate
CID 3371575
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 3563784
N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3556398
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide (CID 4002543) is 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is BLITVXPICHJEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-4-24-18-9-7-17(8-10-18)22-21(23)20-12-11-19(25-20)16-6-5-14(2)15(3)13-16/h5-13H,4H2,1-3H3,(H,22,23).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide?
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 4002543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).