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

C22H29N3O2 — CID 109048527

IUPAC4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-6-25(7-2)19-14-12-18(13-15-19)23-20(26)16-8-10-17(11-9-16)21(27)24-22(3,4)5/h8-15H,6-7H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyAZXSACCYFISJFD-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.31
Rot. Bonds6

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

4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide (PubChem CID 109048527) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
PubChem CID109048527
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-6-25(7-2)19-14-12-18(13-15-19)23-20(26)16-8-10-17(11-9-16)21(27)24-22(3,4)5/h8-15H,6-7H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyAZXSACCYFISJFD-UHFFFAOYSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846242
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
CID 27229396
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-(diethylamino)-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 51094945
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide (CID 109048527) is 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is AZXSACCYFISJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-25(7-2)19-14-12-18(13-15-19)23-20(26)16-8-10-17(11-9-16)21(27)24-22(3,4)5/h8-15H,6-7H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.31, 6 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-(diethylamino)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).