N-(3,5-dimethylphenyl)-3-ethoxypropanamide

C13H19NO2 — CID 2971599

IUPACN-(3,5-dimethylphenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO2/c1-4-16-6-5-13(15)14-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyBNQJWVZIWNBQLD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds5

About N-(3,5-dimethylphenyl)-3-ethoxypropanamide

N-(3,5-dimethylphenyl)-3-ethoxypropanamide (PubChem CID 2971599) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-ethoxypropanamide
PubChem CID2971599
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3,5-dimethylphenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO2/c1-4-16-6-5-13(15)14-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyBNQJWVZIWNBQLD-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-3-ethoxypropanamide 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 N-(3,5-dimethylphenyl)-3-ethoxypropanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-ethoxypropanamide (CID 2971599) is N-(3,5-dimethylphenyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-ethoxypropanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-ethoxypropanamide is CCOCCC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-ethoxypropanamide?
The InChIKey is BNQJWVZIWNBQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-16-6-5-13(15)14-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(3,5-dimethylphenyl)-3-ethoxypropanamide?
N-(3,5-dimethylphenyl)-3-ethoxypropanamide has a molecular weight of 221.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-ethoxypropanamide is sourced from PubChem (CID 2971599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).