2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide

C19H23NO3 — CID 15949136

IUPAC2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide
SMILESCc1cccc(C)c1COc1cccc(CC(=O)NCCO)c1
InChIInChI=1S/C19H23NO3/c1-14-5-3-6-15(2)18(14)13-23-17-8-4-7-16(11-17)12-19(22)20-9-10-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyZAGKCVYUJLFSIA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.53
Rot. Bonds7

About 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide

2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 15949136) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide
PubChem CID15949136
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide
SMILESCc1cccc(C)c1COc1cccc(CC(=O)NCCO)c1
InChIInChI=1S/C19H23NO3/c1-14-5-3-6-15(2)18(14)13-23-17-8-4-7-16(11-17)12-19(22)20-9-10-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyZAGKCVYUJLFSIA-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111448156
N-(2-aminoethyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 119382324
N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111433717
N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride
CID 119405187
N-(2-hydroxyethyl)-2-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111112371
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
CID 119505661
2-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506352
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide (CID 15949136) is 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide is Cc1cccc(C)c1COc1cccc(CC(=O)NCCO)c1.
What is the InChIKey of 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is ZAGKCVYUJLFSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-5-3-6-15(2)18(14)13-23-17-8-4-7-16(11-17)12-19(22)20-9-10-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide?
2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 15949136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).