4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide

C15H22N2O3 — CID 56812747

IUPAC4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCCC(N)=O)c1
InChIInChI=1S/C15H22N2O3/c1-11-5-6-12(2)13(10-11)20-9-7-15(19)17-8-3-4-14(16)18/h5-6,10H,3-4,7-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyUDRNZOAMZHZDIP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.45
Rot. Bonds8

About 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide

4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide (PubChem CID 56812747) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide.

Molecular Properties

Compound Name4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
PubChem CID56812747
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCCC(N)=O)c1
InChIInChI=1S/C15H22N2O3/c1-11-5-6-12(2)13(10-11)20-9-7-15(19)17-8-3-4-14(16)18/h5-6,10H,3-4,7-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyUDRNZOAMZHZDIP-UHFFFAOYSA-N
XLogP1.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(2-bromo-4-methylphenoxy)propanoylamino]butanamide
CID 56820513
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
CID 119500786
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide?
The IUPAC name of 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide (CID 56812747) is 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide.
What is the SMILES notation for 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide?
The canonical SMILES for 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide is Cc1ccc(C)c(OCCC(=O)NCCCC(N)=O)c1.
What is the InChIKey of 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide?
The InChIKey is UDRNZOAMZHZDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-5-6-12(2)13(10-11)20-9-7-15(19)17-8-3-4-14(16)18/h5-6,10H,3-4,7-9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide?
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide is sourced from PubChem (CID 56812747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).