3-(2,5-dimethylphenoxy)-N-propylpropanamide

C14H21NO2 — CID 60637796

IUPAC3-(2,5-dimethylphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-4-8-15-14(16)7-9-17-13-10-11(2)5-6-12(13)3/h5-6,10H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyKFTNASQORJXGCU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-propylpropanamide

3-(2,5-dimethylphenoxy)-N-propylpropanamide (PubChem CID 60637796) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-propylpropanamide
PubChem CID60637796
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2,5-dimethylphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-4-8-15-14(16)7-9-17-13-10-11(2)5-6-12(13)3/h5-6,10H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyKFTNASQORJXGCU-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

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Related Compounds

4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
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
5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
CID 119500786
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-propylpropanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-propylpropanamide (CID 60637796) is 3-(2,5-dimethylphenoxy)-N-propylpropanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-propylpropanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-propylpropanamide is CCCNC(=O)CCOc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-propylpropanamide?
The InChIKey is KFTNASQORJXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-8-15-14(16)7-9-17-13-10-11(2)5-6-12(13)3/h5-6,10H,4,7-9H2,1-3H3,(H,15,16).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-propylpropanamide?
3-(2,5-dimethylphenoxy)-N-propylpropanamide 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 3-(2,5-dimethylphenoxy)-N-propylpropanamide is sourced from PubChem (CID 60637796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).