4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide

C20H25N3O2 — CID 109048526

IUPAC4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)22-19(25)15-8-6-14(7-9-15)18(24)21-16-10-12-17(13-11-16)23(4)5/h6-13H,1-5H3,(H,21,24)(H,22,25)
InChIKeyJBMLFFNQVNXHRP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.53
Rot. Bonds4

About 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide (PubChem CID 109048526) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
PubChem CID109048526
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)22-19(25)15-8-6-14(7-9-15)18(24)21-16-10-12-17(13-11-16)23(4)5/h6-13H,1-5H3,(H,21,24)(H,22,25)
InChIKeyJBMLFFNQVNXHRP-UHFFFAOYSA-N
XLogP3.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.53
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-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
CID 109263032
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide (CID 109048526) is 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide is CN(C)c1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is JBMLFFNQVNXHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,3)22-19(25)15-8-6-14(7-9-15)18(24)21-16-10-12-17(13-11-16)23(4)5/h6-13H,1-5H3,(H,21,24)(H,22,25).
What are the key properties of 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).