4-benzamido-N-(4-butan-2-ylphenyl)benzamide

C24H24N2O2 — CID 17153198

IUPAC4-benzamido-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O2/c1-3-17(2)18-9-13-21(14-10-18)26-24(28)20-11-15-22(16-12-20)25-23(27)19-7-5-4-6-8-19/h4-17H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDOLOFQUGBJAUDN-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.70
Rot. Bonds6

About 4-benzamido-N-(4-butan-2-ylphenyl)benzamide

4-benzamido-N-(4-butan-2-ylphenyl)benzamide (PubChem CID 17153198) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-benzamido-N-(4-butan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-benzamido-N-(4-butan-2-ylphenyl)benzamide
PubChem CID17153198
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name4-benzamido-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O2/c1-3-17(2)18-9-13-21(14-10-18)26-24(28)20-11-15-22(16-12-20)25-23(27)19-7-5-4-6-8-19/h4-17H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDOLOFQUGBJAUDN-UHFFFAOYSA-N
XLogP5.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(4-butan-2-ylphenyl)benzamide?
The IUPAC name of 4-benzamido-N-(4-butan-2-ylphenyl)benzamide (CID 17153198) is 4-benzamido-N-(4-butan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-benzamido-N-(4-butan-2-ylphenyl)benzamide?
The canonical SMILES for 4-benzamido-N-(4-butan-2-ylphenyl)benzamide is CCC(C)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-benzamido-N-(4-butan-2-ylphenyl)benzamide?
The InChIKey is DOLOFQUGBJAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-17(2)18-9-13-21(14-10-18)26-24(28)20-11-15-22(16-12-20)25-23(27)19-7-5-4-6-8-19/h4-17H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-benzamido-N-(4-butan-2-ylphenyl)benzamide?
4-benzamido-N-(4-butan-2-ylphenyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(4-butan-2-ylphenyl)benzamide is sourced from PubChem (CID 17153198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).