3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

C17H27NO3 — CID 79376617

IUPAC3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C17H27NO3/c1-6-18(12-17(4,5)20)16(19)9-10-21-15-11-13(2)7-8-14(15)3/h7-8,11,20H,6,9-10,12H2,1-5H3
InChIKeyKIPNZRZTIUZICU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.69
Rot. Bonds7

About 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 79376617) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID79376617
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C17H27NO3/c1-6-18(12-17(4,5)20)16(19)9-10-21-15-11-13(2)7-8-14(15)3/h7-8,11,20H,6,9-10,12H2,1-5H3
InChIKeyKIPNZRZTIUZICU-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide 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

3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 78963538
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111926113
2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide
CID 82136859
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 146594255
3-[3-(dimethylamino)-3-oxopropoxy]-4-methylbenzoic acid
CID 61379990
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (CID 79376617) is 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is CCN(CC(C)(C)O)C(=O)CCOc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is KIPNZRZTIUZICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-18(12-17(4,5)20)16(19)9-10-21-15-11-13(2)7-8-14(15)3/h7-8,11,20H,6,9-10,12H2,1-5H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 79376617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).