4-(7-methyloctan-4-yl)benzamide

C16H25NO — CID 143698949

IUPAC4-(7-methyloctan-4-yl)benzamide
SMILESCCCC(CCC(C)C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H25NO/c1-4-5-13(7-6-12(2)3)14-8-10-15(11-9-14)16(17)18/h8-13H,4-7H2,1-3H3,(H2,17,18)
InChIKeyOEMQSPOFKYZQJB-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.11
Rot. Bonds7

About 4-(7-methyloctan-4-yl)benzamide

4-(7-methyloctan-4-yl)benzamide (PubChem CID 143698949) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(7-methyloctan-4-yl)benzamide.

Molecular Properties

Compound Name4-(7-methyloctan-4-yl)benzamide
PubChem CID143698949
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(7-methyloctan-4-yl)benzamide
SMILESCCCC(CCC(C)C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H25NO/c1-4-5-13(7-6-12(2)3)14-8-10-15(11-9-14)16(17)18/h8-13H,4-7H2,1-3H3,(H2,17,18)
InChIKeyOEMQSPOFKYZQJB-UHFFFAOYSA-N
XLogP4.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyloctan-4-yl)benzamide?
The IUPAC name of 4-(7-methyloctan-4-yl)benzamide (CID 143698949) is 4-(7-methyloctan-4-yl)benzamide.
What is the SMILES notation for 4-(7-methyloctan-4-yl)benzamide?
The canonical SMILES for 4-(7-methyloctan-4-yl)benzamide is CCCC(CCC(C)C)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(7-methyloctan-4-yl)benzamide?
The InChIKey is OEMQSPOFKYZQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-13(7-6-12(2)3)14-8-10-15(11-9-14)16(17)18/h8-13H,4-7H2,1-3H3,(H2,17,18).
What are the key properties of 4-(7-methyloctan-4-yl)benzamide?
4-(7-methyloctan-4-yl)benzamide has a molecular weight of 247.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyloctan-4-yl)benzamide is sourced from PubChem (CID 143698949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).