3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide

C14H21NO3 — CID 43418206

IUPAC3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC(C)O)c1
InChIInChI=1S/C14H21NO3/c1-10-6-11(2)8-13(7-10)18-5-4-14(17)15-9-12(3)16/h6-8,12,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeySQFDSQWEERYBET-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.57
Rot. Bonds6

About 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide

3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide (PubChem CID 43418206) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
PubChem CID43418206
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC(C)O)c1
InChIInChI=1S/C14H21NO3/c1-10-6-11(2)8-13(7-10)18-5-4-14(17)15-9-12(3)16/h6-8,12,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeySQFDSQWEERYBET-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654017
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
methyl (2S)-2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 87040329
ethyl 2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 61344778
N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 60731427
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491
4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride
CID 120561157
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
3-(3,5-dimethylphenoxy)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60545145

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide (CID 43418206) is 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide is Cc1cc(C)cc(OCCC(=O)NCC(C)O)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide?
The InChIKey is SQFDSQWEERYBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-6-11(2)8-13(7-10)18-5-4-14(17)15-9-12(3)16/h6-8,12,16H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide?
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide is sourced from PubChem (CID 43418206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).