3-(2-methylpropanoyl)-5-propanoylbenzamide

C14H17NO3 — CID 166084831

IUPAC3-(2-methylpropanoyl)-5-propanoylbenzamide
SMILESCCC(=O)c1cc(C(N)=O)cc(C(=O)C(C)C)c1
InChIInChI=1S/C14H17NO3/c1-4-12(16)9-5-10(13(17)8(2)3)7-11(6-9)14(15)18/h5-8H,4H2,1-3H3,(H2,15,18)
InChIKeyVBSVKGNQPNLXPT-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-methylpropanoyl)-5-propanoylbenzamide

3-(2-methylpropanoyl)-5-propanoylbenzamide (PubChem CID 166084831) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-5-propanoylbenzamide.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-5-propanoylbenzamide
PubChem CID166084831
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(2-methylpropanoyl)-5-propanoylbenzamide
SMILESCCC(=O)c1cc(C(N)=O)cc(C(=O)C(C)C)c1
InChIInChI=1S/C14H17NO3/c1-4-12(16)9-5-10(13(17)8(2)3)7-11(6-9)14(15)18/h5-8H,4H2,1-3H3,(H2,15,18)
InChIKeyVBSVKGNQPNLXPT-UHFFFAOYSA-N
XLogP2.22
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-5-propanoylbenzamide?
The IUPAC name of 3-(2-methylpropanoyl)-5-propanoylbenzamide (CID 166084831) is 3-(2-methylpropanoyl)-5-propanoylbenzamide.
What is the SMILES notation for 3-(2-methylpropanoyl)-5-propanoylbenzamide?
The canonical SMILES for 3-(2-methylpropanoyl)-5-propanoylbenzamide is CCC(=O)c1cc(C(N)=O)cc(C(=O)C(C)C)c1.
What is the InChIKey of 3-(2-methylpropanoyl)-5-propanoylbenzamide?
The InChIKey is VBSVKGNQPNLXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-12(16)9-5-10(13(17)8(2)3)7-11(6-9)14(15)18/h5-8H,4H2,1-3H3,(H2,15,18).
What are the key properties of 3-(2-methylpropanoyl)-5-propanoylbenzamide?
3-(2-methylpropanoyl)-5-propanoylbenzamide has a molecular weight of 247.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-5-propanoylbenzamide is sourced from PubChem (CID 166084831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).