benzamide;2,3-dimethylbutane

C13H21NO — CID 162214835

IUPACbenzamide;2,3-dimethylbutane
SMILESCC(C)C(C)C.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C6H14/c8-7(9)6-4-2-1-3-5-6;1-5(2)6(3)4/h1-5H,(H2,8,9);5-6H,1-4H3
InChIKeyZTIAPPIPMVPANG-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.08
Rot. Bonds2

About benzamide;2,3-dimethylbutane

benzamide;2,3-dimethylbutane (PubChem CID 162214835) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is benzamide;2,3-dimethylbutane.

Molecular Properties

Compound Namebenzamide;2,3-dimethylbutane
PubChem CID162214835
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namebenzamide;2,3-dimethylbutane
SMILESCC(C)C(C)C.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C6H14/c8-7(9)6-4-2-1-3-5-6;1-5(2)6(3)4/h1-5H,(H2,8,9);5-6H,1-4H3
InChIKeyZTIAPPIPMVPANG-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzamide;2,3-dimethylbutane?
The IUPAC name of benzamide;2,3-dimethylbutane (CID 162214835) is benzamide;2,3-dimethylbutane.
What is the SMILES notation for benzamide;2,3-dimethylbutane?
The canonical SMILES for benzamide;2,3-dimethylbutane is CC(C)C(C)C.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;2,3-dimethylbutane?
The InChIKey is ZTIAPPIPMVPANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C6H14/c8-7(9)6-4-2-1-3-5-6;1-5(2)6(3)4/h1-5H,(H2,8,9);5-6H,1-4H3.
What are the key properties of benzamide;2,3-dimethylbutane?
benzamide;2,3-dimethylbutane has a molecular weight of 207.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;2,3-dimethylbutane is sourced from PubChem (CID 162214835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).