3-methyl-N-(2-phenylethyl)butanamide

C13H19NO — CID 3551002

IUPAC3-methyl-N-(2-phenylethyl)butanamide
SMILESCC(C)CC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)
InChIKeyGIOFEZBLCNCEBN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.39
Rot. Bonds5

About 3-methyl-N-(2-phenylethyl)butanamide

3-methyl-N-(2-phenylethyl)butanamide (PubChem CID 3551002) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)butanamide
PubChem CID3551002
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-N-(2-phenylethyl)butanamide
SMILESCC(C)CC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)
InChIKeyGIOFEZBLCNCEBN-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 3-methyl-N-(2-phenylethyl)butanamide (CID 3551002) is 3-methyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)butanamide is CC(C)CC(=O)NCCc1ccccc1.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)butanamide?
The InChIKey is GIOFEZBLCNCEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(2-phenylethyl)butanamide?
3-methyl-N-(2-phenylethyl)butanamide has a molecular weight of 205.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 3551002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).