2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide

C18H21NO4 — CID 112978354

IUPAC2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1cccc(OCC(=O)NCc2ccc(C)cc2)c1OC
InChIInChI=1S/C18H21NO4/c1-13-7-9-14(10-8-13)11-19-17(20)12-23-16-6-4-5-15(21-2)18(16)22-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyMOFLHRNABVVUMV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.71
Rot. Bonds7

About 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide

2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 112978354) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID112978354
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1cccc(OCC(=O)NCc2ccc(C)cc2)c1OC
InChIInChI=1S/C18H21NO4/c1-13-7-9-14(10-8-13)11-19-17(20)12-23-16-6-4-5-15(21-2)18(16)22-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyMOFLHRNABVVUMV-UHFFFAOYSA-N
XLogP2.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
2-(2,3-dimethoxyphenoxy)-N'-methylacetohydrazide
CID 116820693
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 112978344
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 112978354) is 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide is COc1cccc(OCC(=O)NCc2ccc(C)cc2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MOFLHRNABVVUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-7-9-14(10-8-13)11-19-17(20)12-23-16-6-4-5-15(21-2)18(16)22-3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112978354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).