2-methyl-N-(3-phenylpropyl)propanamide

C13H19NO — CID 2906692

IUPAC2-methyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)13(15)14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15)
InChIKeyJTACLVOGBJULJZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-N-(3-phenylpropyl)propanamide

2-methyl-N-(3-phenylpropyl)propanamide (PubChem CID 2906692) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylpropyl)propanamide
PubChem CID2906692
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)13(15)14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15)
InChIKeyJTACLVOGBJULJZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(3-phenylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2-methyl-N-(3-phenylpropyl)propanamide (CID 2906692) is 2-methyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-phenylpropyl)propanamide is CC(C)C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylpropyl)propanamide?
The InChIKey is JTACLVOGBJULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)13(15)14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(3-phenylpropyl)propanamide?
2-methyl-N-(3-phenylpropyl)propanamide 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 2-methyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 2906692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).