N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

C20H24N2O2 — CID 777094

IUPACN-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C
InChIInChI=1S/C20H24N2O2/c1-13-8-6-11-17(14(13)2)22-18(23)15-9-7-10-16(12-15)21-19(24)20(3,4)5/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyQEEBWRVKNWHVEM-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.54
Rot. Bonds3

About N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 777094) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID777094
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C
InChIInChI=1S/C20H24N2O2/c1-13-8-6-11-17(14(13)2)22-18(23)15-9-7-10-16(12-15)21-19(24)20(3,4)5/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyQEEBWRVKNWHVEM-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (CID 777094) is N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is QEEBWRVKNWHVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-8-6-11-17(14(13)2)22-18(23)15-9-7-10-16(12-15)21-19(24)20(3,4)5/h6-12H,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 777094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).