2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide

C12H17NO3 — CID 43143214

IUPAC2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
SMILESCc1c(O)cccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C12H17NO3/c1-8-10(14)6-5-7-11(8)16-9(2)12(15)13(3)4/h5-7,9,14H,1-4H3
InChIKeyUXNIALWAMAEMPO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.56
Rot. Bonds3

About 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide

2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide (PubChem CID 43143214) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
PubChem CID43143214
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
SMILESCc1c(O)cccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C12H17NO3/c1-8-10(14)6-5-7-11(8)16-9(2)12(15)13(3)4/h5-7,9,14H,1-4H3
InChIKeyUXNIALWAMAEMPO-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide
CID 43326211
2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
CID 173339898
2-(3-hydroxy-2-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43143211
2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide
CID 43609423
2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide
CID 19857254
2-methyl-3-(1-propan-2-yloxyethoxy)phenol
CID 69410619
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43471727
N,N-dimethyl-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)propanamide
CID 103045037
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
CID 55148420

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide (CID 43143214) is 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide is Cc1c(O)cccc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide?
The InChIKey is UXNIALWAMAEMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-10(14)6-5-7-11(8)16-9(2)12(15)13(3)4/h5-7,9,14H,1-4H3.
What are the key properties of 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide?
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 43143214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).