4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

C23H25N3O3 — CID 109046633

IUPAC4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-3-26(4-2)20-13-11-19(12-14-20)25-23(28)18-9-7-17(8-10-18)22(27)24-16-21-6-5-15-29-21/h5-15H,3-4,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIKXHOBAJKSZYGB-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.31
Rot. Bonds8

About 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109046633) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109046633
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-3-26(4-2)20-13-11-19(12-14-20)25-23(28)18-9-7-17(8-10-18)22(27)24-16-21-6-5-15-29-21/h5-15H,3-4,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIKXHOBAJKSZYGB-UHFFFAOYSA-N
XLogP4.31
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
CID 54789414
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
N-(furan-2-ylmethyl)-4-(propanoylcarbamothioylamino)benzamide
CID 28638533
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (CID 109046633) is 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is IKXHOBAJKSZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-26(4-2)20-13-11-19(12-14-20)25-23(28)18-9-7-17(8-10-18)22(27)24-16-21-6-5-15-29-21/h5-15H,3-4,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).