3,5-diacetyl-N-methylbenzamide;ethane

C22H43NO3 — CID 142854666

IUPAC3,5-diacetyl-N-methylbenzamide;ethane
SMILESCC.CC.CC.CC.CC.CNC(=O)c1cc(C(C)=O)cc(C(C)=O)c1
InChIInChI=1S/C12H13NO3.5C2H6/c1-7(14)9-4-10(8(2)15)6-11(5-9)12(16)13-3;5*1-2/h4-6H,1-3H3,(H,13,16);5*1-2H3
InChIKeyCBRPRUXLHXZWPJ-UHFFFAOYSA-N
MW369.59 g/mol
LogP6.58
Rot. Bonds3

About 3,5-diacetyl-N-methylbenzamide;ethane

3,5-diacetyl-N-methylbenzamide;ethane (PubChem CID 142854666) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is 3,5-diacetyl-N-methylbenzamide;ethane.

Molecular Properties

Compound Name3,5-diacetyl-N-methylbenzamide;ethane
PubChem CID142854666
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name3,5-diacetyl-N-methylbenzamide;ethane
SMILESCC.CC.CC.CC.CC.CNC(=O)c1cc(C(C)=O)cc(C(C)=O)c1
InChIInChI=1S/C12H13NO3.5C2H6/c1-7(14)9-4-10(8(2)15)6-11(5-9)12(16)13-3;5*1-2/h4-6H,1-3H3,(H,13,16);5*1-2H3
InChIKeyCBRPRUXLHXZWPJ-UHFFFAOYSA-N
XLogP6.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diacetyl-N-methylbenzamide;ethane?
The IUPAC name of 3,5-diacetyl-N-methylbenzamide;ethane (CID 142854666) is 3,5-diacetyl-N-methylbenzamide;ethane.
What is the SMILES notation for 3,5-diacetyl-N-methylbenzamide;ethane?
The canonical SMILES for 3,5-diacetyl-N-methylbenzamide;ethane is CC.CC.CC.CC.CC.CNC(=O)c1cc(C(C)=O)cc(C(C)=O)c1.
What is the InChIKey of 3,5-diacetyl-N-methylbenzamide;ethane?
The InChIKey is CBRPRUXLHXZWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3.5C2H6/c1-7(14)9-4-10(8(2)15)6-11(5-9)12(16)13-3;5*1-2/h4-6H,1-3H3,(H,13,16);5*1-2H3.
What are the key properties of 3,5-diacetyl-N-methylbenzamide;ethane?
3,5-diacetyl-N-methylbenzamide;ethane has a molecular weight of 369.59 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetyl-N-methylbenzamide;ethane is sourced from PubChem (CID 142854666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).