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

C21H26N2O3 — CID 109043960

IUPAC1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)13-22-20(24)16-9-11-17(12-10-16)21(25)23-18-7-5-6-8-19(18)26-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFFZFRTJLDGKSOP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.11
Rot. Bonds7

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

1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109043960) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109043960
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)13-22-20(24)16-9-11-17(12-10-16)21(25)23-18-7-5-6-8-19(18)26-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFFZFRTJLDGKSOP-UHFFFAOYSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108958088
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
4-(ethylsulfamoyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 39498244
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
2-N-(2-methylpropyl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131536
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54839172

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (CID 109043960) is 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is CC(C)CNC(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is FFZFRTJLDGKSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)13-22-20(24)16-9-11-17(12-10-16)21(25)23-18-7-5-6-8-19(18)26-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).