2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide

C16H25NO4 — CID 134029702

IUPAC2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCOCCOCCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C16H25NO4/c1-13-5-6-15(14(2)11-13)21-12-16(18)17-7-4-8-20-10-9-19-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,18)
InChIKeyBKCWGACVBPZBPO-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.85
Rot. Bonds10

About 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide

2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide (PubChem CID 134029702) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
PubChem CID134029702
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCOCCOCCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C16H25NO4/c1-13-5-6-15(14(2)11-13)21-12-16(18)17-7-4-8-20-10-9-19-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,18)
InChIKeyBKCWGACVBPZBPO-UHFFFAOYSA-N
XLogP1.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108539406
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide (CID 134029702) is 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide is COCCOCCCNC(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The InChIKey is BKCWGACVBPZBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-13-5-6-15(14(2)11-13)21-12-16(18)17-7-4-8-20-10-9-19-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide has a molecular weight of 295.38 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide is sourced from PubChem (CID 134029702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).