4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide

C22H24N2O2 — CID 75533709

IUPAC4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide
SMILESCc1ccccc1C1CC(N(C(=O)c2ccc(C(N)=O)cc2)C2CC2)C1
InChIInChI=1S/C22H24N2O2/c1-14-4-2-3-5-20(14)17-12-19(13-17)24(18-10-11-18)22(26)16-8-6-15(7-9-16)21(23)25/h2-9,17-19H,10-13H2,1H3,(H2,23,25)
InChIKeyKIABZHPFXBHWBE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.64
Rot. Bonds5

About 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide

4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide (PubChem CID 75533709) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide
PubChem CID75533709
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide
SMILESCc1ccccc1C1CC(N(C(=O)c2ccc(C(N)=O)cc2)C2CC2)C1
InChIInChI=1S/C22H24N2O2/c1-14-4-2-3-5-20(14)17-12-19(13-17)24(18-10-11-18)22(26)16-8-6-15(7-9-16)21(23)25/h2-9,17-19H,10-13H2,1H3,(H2,23,25)
InChIKeyKIABZHPFXBHWBE-UHFFFAOYSA-N
XLogP3.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide (CID 75533709) is 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide is Cc1ccccc1C1CC(N(C(=O)c2ccc(C(N)=O)cc2)C2CC2)C1.
What is the InChIKey of 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide?
The InChIKey is KIABZHPFXBHWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14-4-2-3-5-20(14)17-12-19(13-17)24(18-10-11-18)22(26)16-8-6-15(7-9-16)21(23)25/h2-9,17-19H,10-13H2,1H3,(H2,23,25).
What are the key properties of 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide?
4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 75533709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).