3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide

C14H21NO4 — CID 79675927

IUPAC3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)CCOc1cccc(C)c1C
InChIInChI=1S/C14H21NO4/c1-11-5-4-6-13(12(11)2)18-8-7-14(16)15-19-10-9-17-3/h4-6H,7-10H2,1-3H3,(H,15,16)
InChIKeySIXYBFXGSHGPHY-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.77
Rot. Bonds8

About 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide

3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide (PubChem CID 79675927) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
PubChem CID79675927
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)CCOc1cccc(C)c1C
InChIInChI=1S/C14H21NO4/c1-11-5-4-6-13(12(11)2)18-8-7-14(16)15-19-10-9-17-3/h4-6H,7-10H2,1-3H3,(H,15,16)
InChIKeySIXYBFXGSHGPHY-UHFFFAOYSA-N
XLogP1.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
2-[3-(2,3-dimethylphenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084679
N-ethoxy-3-(2-methylphenoxy)propanamide
CID 60717709
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide
CID 103770508
methyl 3-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]propanoate
CID 60521028
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119608882
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide
CID 119421764
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide (CID 79675927) is 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide is COCCONC(=O)CCOc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide?
The InChIKey is SIXYBFXGSHGPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-11-5-4-6-13(12(11)2)18-8-7-14(16)15-19-10-9-17-3/h4-6H,7-10H2,1-3H3,(H,15,16).
What are the key properties of 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide?
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide has a molecular weight of 267.32 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 79675927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).