3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide

C14H21NO3 — CID 54879106

IUPAC3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
SMILESCCC(O)c1ccccc1OCCC(=O)N(C)C
InChIInChI=1S/C14H21NO3/c1-4-12(16)11-7-5-6-8-13(11)18-10-9-14(17)15(2)3/h5-8,12,16H,4,9-10H2,1-3H3
InChIKeyQVPQDSDVXJCZBP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.99
Rot. Bonds6

About 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide

3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide (PubChem CID 54879106) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
PubChem CID54879106
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
SMILESCCC(O)c1ccccc1OCCC(=O)N(C)C
InChIInChI=1S/C14H21NO3/c1-4-12(16)11-7-5-6-8-13(11)18-10-9-14(17)15(2)3/h5-8,12,16H,4,9-10H2,1-3H3
InChIKeyQVPQDSDVXJCZBP-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide
CID 55189164
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
1-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide (CID 54879106) is 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide is CCC(O)c1ccccc1OCCC(=O)N(C)C.
What is the InChIKey of 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide?
The InChIKey is QVPQDSDVXJCZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-12(16)11-7-5-6-8-13(11)18-10-9-14(17)15(2)3/h5-8,12,16H,4,9-10H2,1-3H3.
What are the key properties of 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide?
3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 54879106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).