3-methyl-2-phenylpentanamide

C12H17NO — CID 4182375

IUPAC3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(N)=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14)
InChIKeyJZWSIXOLZMBMNT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-2-phenylpentanamide

3-methyl-2-phenylpentanamide (PubChem CID 4182375) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name3-methyl-2-phenylpentanamide
PubChem CID4182375
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(N)=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14)
InChIKeyJZWSIXOLZMBMNT-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylpentanamide?
The IUPAC name of 3-methyl-2-phenylpentanamide (CID 4182375) is 3-methyl-2-phenylpentanamide.
What is the SMILES notation for 3-methyl-2-phenylpentanamide?
The canonical SMILES for 3-methyl-2-phenylpentanamide is CCC(C)C(C(N)=O)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenylpentanamide?
The InChIKey is JZWSIXOLZMBMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14).
What are the key properties of 3-methyl-2-phenylpentanamide?
3-methyl-2-phenylpentanamide has a molecular weight of 191.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylpentanamide is sourced from PubChem (CID 4182375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).