N-butyl-2-(2,4-dimethylphenoxy)acetamide

C14H21NO2 — CID 17142931

IUPACN-butyl-2-(2,4-dimethylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-4-5-8-15-14(16)10-17-13-7-6-11(2)9-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,15,16)
InChIKeyHBTQAULIMJUEHS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds6

About N-butyl-2-(2,4-dimethylphenoxy)acetamide

N-butyl-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 17142931) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butyl-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dimethylphenoxy)acetamide
PubChem CID17142931
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-butyl-2-(2,4-dimethylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-4-5-8-15-14(16)10-17-13-7-6-11(2)9-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,15,16)
InChIKeyHBTQAULIMJUEHS-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-(2,4-dimethylphenoxy)acetamide 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

2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 38427451
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-butyl-2-(2,4-dimethylphenoxy)acetamide (CID 17142931) is N-butyl-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(2,4-dimethylphenoxy)acetamide is CCCCNC(=O)COc1ccc(C)cc1C.
What is the InChIKey of N-butyl-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is HBTQAULIMJUEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-8-15-14(16)10-17-13-7-6-11(2)9-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,15,16).
What are the key properties of N-butyl-2-(2,4-dimethylphenoxy)acetamide?
N-butyl-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 17142931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).