3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide

C14H21NO3 — CID 63366501

IUPAC3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
SMILESCc1ccc(OCCC(=O)N(C)C)c([C@@H](C)O)c1
InChIInChI=1S/C14H21NO3/c1-10-5-6-13(12(9-10)11(2)16)18-8-7-14(17)15(3)4/h5-6,9,11,16H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyZCPZKBJMBQBSPH-LLVKDONJSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds5

About 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide

3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide (PubChem CID 63366501) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
PubChem CID63366501
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
SMILESCc1ccc(OCCC(=O)N(C)C)c([C@@H](C)O)c1
InChIInChI=1S/C14H21NO3/c1-10-5-6-13(12(9-10)11(2)16)18-8-7-14(17)15(3)4/h5-6,9,11,16H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyZCPZKBJMBQBSPH-LLVKDONJSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
methyl 4-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]butanoate
CID 78933644
3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63325860
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 63323400
3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640822
3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide
CID 115402117
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide (CID 63366501) is 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide is Cc1ccc(OCCC(=O)N(C)C)c([C@@H](C)O)c1.
What is the InChIKey of 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide?
The InChIKey is ZCPZKBJMBQBSPH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-5-6-13(12(9-10)11(2)16)18-8-7-14(17)15(3)4/h5-6,9,11,16H,7-8H2,1-4H3/t11-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide?
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 63366501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).