3-(2-methylpropyl)benzamide

C11H15NO — CID 23130390

IUPAC3-(2-methylpropyl)benzamide
SMILESCC(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15NO/c1-8(2)6-9-4-3-5-10(7-9)11(12)13/h3-5,7-8H,6H2,1-2H3,(H2,12,13)
InChIKeyGNKOMWRJUVRGFO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.98
Rot. Bonds3

About 3-(2-methylpropyl)benzamide

3-(2-methylpropyl)benzamide (PubChem CID 23130390) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropyl)benzamide
PubChem CID23130390
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(2-methylpropyl)benzamide
SMILESCC(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15NO/c1-8(2)6-9-4-3-5-10(7-9)11(12)13/h3-5,7-8H,6H2,1-2H3,(H2,12,13)
InChIKeyGNKOMWRJUVRGFO-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)benzamide?
The IUPAC name of 3-(2-methylpropyl)benzamide (CID 23130390) is 3-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(2-methylpropyl)benzamide is CC(C)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(2-methylpropyl)benzamide?
The InChIKey is GNKOMWRJUVRGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)6-9-4-3-5-10(7-9)11(12)13/h3-5,7-8H,6H2,1-2H3,(H2,12,13).
What are the key properties of 3-(2-methylpropyl)benzamide?
3-(2-methylpropyl)benzamide has a molecular weight of 177.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)benzamide is sourced from PubChem (CID 23130390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).