2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide

C14H21NO3 — CID 43504470

IUPAC2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
SMILESCCC(O)c1ccc(OC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-5-13(16)11-6-8-12(9-7-11)18-10(2)14(17)15(3)4/h6-10,13,16H,5H2,1-4H3
InChIKeyOEFDIZFUQCZJQJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.99
Rot. Bonds5

About 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide

2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 43504470) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
PubChem CID43504470
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
SMILESCCC(O)c1ccc(OC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-5-13(16)11-6-8-12(9-7-11)18-10(2)14(17)15(3)4/h6-10,13,16H,5H2,1-4H3
InChIKeyOEFDIZFUQCZJQJ-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Ethylphenoxy)acetyl]morpholine
CID 806693
Benzenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-4-phenoxy-, hydrochloride
CID 3076593
2-(Dimethylamino)-1-(4-methoxyphenyl)ethanol
CID 547115
2-(4-Ethylphenoxy)-1-(piperidin-1-yl)ethan-1-one
CID 905454
Acetamide, 2-(2,4-dimethylphenoxy)-N,N-dimethyl-
CID 965405
N,N-Dimethyl-2-[4-(1-methylethyl)phenoxy]acetamide
CID 28639780
2-[4-(1-hydroxyethyl)phenoxy]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 44271017
Acetamide, 2-((p-methoxybenzyl)oxy)-N,N-dipropyl-
CID 85124
3-(Dimethylamino)-1-(4-ethoxyphenyl)propan-1-ol--hydrogen chloride (1/1)
CID 212352
Benzenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-4-methoxy-, hydrochloride
CID 3076585
(4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)methanol
CID 10751471
N,N-dimethyl-2-(2-methylphenoxy)acetamide
CID 28639784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide (CID 43504470) is 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide is CCC(O)c1ccc(OC(C)C(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is OEFDIZFUQCZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-13(16)11-6-8-12(9-7-11)18-10(2)14(17)15(3)4/h6-10,13,16H,5H2,1-4H3.
What are the key properties of 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide?
2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 43504470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).