2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide

C18H21NO3 — CID 123362351

IUPAC2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide
SMILESCc1cccc(C)c1OCc1ccccc1C(C)(O)C(N)=O
InChIInChI=1S/C18H21NO3/c1-12-7-6-8-13(2)16(12)22-11-14-9-4-5-10-15(14)18(3,21)17(19)20/h4-10,21H,11H2,1-3H3,(H2,19,20)
InChIKeyNPVWZSFTGMRLNE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds5

About 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide

2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide (PubChem CID 123362351) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide
PubChem CID123362351
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide
SMILESCc1cccc(C)c1OCc1ccccc1C(C)(O)C(N)=O
InChIInChI=1S/C18H21NO3/c1-12-7-6-8-13(2)16(12)22-11-14-9-4-5-10-15(14)18(3,21)17(19)20/h4-10,21H,11H2,1-3H3,(H2,19,20)
InChIKeyNPVWZSFTGMRLNE-UHFFFAOYSA-N
XLogP2.58
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide
CID 174263459
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
(2S)-2-hydroxy-2-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 139703123
ethyl 2-hydroxy-2-[4-[(2-methylphenyl)methoxy]phenyl]propanoate
CID 54001053
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-[(2-fluorophenyl)methoxy]-3-methylbenzenecarbothioamide
CID 107108925
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431
1-(2,6-dimethylphenoxy)propan-2-yl 2,2,2-trichloroacetate
CID 13049014
4-[(2,6-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482196

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide?
The IUPAC name of 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide (CID 123362351) is 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide.
What is the SMILES notation for 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide?
The canonical SMILES for 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide is Cc1cccc(C)c1OCc1ccccc1C(C)(O)C(N)=O.
What is the InChIKey of 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide?
The InChIKey is NPVWZSFTGMRLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-7-6-8-13(2)16(12)22-11-14-9-4-5-10-15(14)18(3,21)17(19)20/h4-10,21H,11H2,1-3H3,(H2,19,20).
What are the key properties of 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide?
2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide has a molecular weight of 299.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide is sourced from PubChem (CID 123362351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).