1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide

C23H22N2O3 — CID 109049242

IUPAC1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-16(2)28-21-11-7-6-10-20(21)25-23(27)18-14-12-17(13-15-18)22(26)24-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,24,26)(H,25,27)
InChIKeyMHFJRXFZHOXHGS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.98
Rot. Bonds6

About 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide

1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049242) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109049242
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-16(2)28-21-11-7-6-10-20(21)25-23(27)18-14-12-17(13-15-18)22(26)24-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,24,26)(H,25,27)
InChIKeyMHFJRXFZHOXHGS-UHFFFAOYSA-N
XLogP4.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)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

1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
CID 17150868
4-(ethylsulfamoyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 39498244
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (CID 109049242) is 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is CC(C)Oc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is MHFJRXFZHOXHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16(2)28-21-11-7-6-10-20(21)25-23(27)18-14-12-17(13-15-18)22(26)24-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).