1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide

C23H23N3O2 — CID 109056881

IUPAC1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H23N3O2/c1-16-7-4-5-10-21(16)25-23(28)18-9-6-8-17(15-18)22(27)24-19-11-13-20(14-12-19)26(2)3/h4-15H,1-3H3,(H,24,27)(H,25,28)
InChIKeyNKPVFZDQWXQZQE-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.57
Rot. Bonds5

About 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide

1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056881) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109056881
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H23N3O2/c1-16-7-4-5-10-21(16)25-23(28)18-9-6-8-17(15-18)22(27)24-19-11-13-20(14-12-19)26(2)3/h4-15H,1-3H3,(H,24,27)(H,25,28)
InChIKeyNKPVFZDQWXQZQE-UHFFFAOYSA-N
XLogP4.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.57
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

3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
CID 78776448
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide (CID 109056881) is 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide is Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is NKPVFZDQWXQZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-7-4-5-10-21(16)25-23(28)18-9-6-8-17(15-18)22(27)24-19-11-13-20(14-12-19)26(2)3/h4-15H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.57, 5 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]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).