1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide

C24H25N3O2 — CID 109049739

IUPAC1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-4-17-7-5-6-8-22(17)26-24(29)19-11-9-18(10-12-19)23(28)25-20-13-15-21(16-14-20)27(2)3/h5-16H,4H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyWEKYNUVGVVAERL-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.82
Rot. Bonds6

About 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide

1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049739) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049739
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-4-17-7-5-6-8-22(17)26-24(29)19-11-9-18(10-12-19)23(28)25-20-13-15-21(16-14-20)27(2)3/h5-16H,4H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyWEKYNUVGVVAERL-UHFFFAOYSA-N
XLogP4.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
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

4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
4-N-[4-(dimethylamino)phenyl]-2-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092240
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295
4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745006
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide (CID 109049739) is 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide is CCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is WEKYNUVGVVAERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-4-17-7-5-6-8-22(17)26-24(29)19-11-9-18(10-12-19)23(28)25-20-13-15-21(16-14-20)27(2)3/h5-16H,4H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).