2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

C18H21NO3 — CID 2711623

IUPAC2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C18H21NO3/c1-13-5-4-6-17(14(13)2)22-12-18(20)19-11-15-7-9-16(21-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyYYBRJYCWELSXAT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.01
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2711623) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2711623
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2cccc(C)c2C)cc1
InChIInChI=1S/C18H21NO3/c1-13-5-4-6-17(14(13)2)22-12-18(20)19-11-15-7-9-16(21-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyYYBRJYCWELSXAT-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911139
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112978354
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 48501810
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (CID 2711623) is 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2cccc(C)c2C)cc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is YYBRJYCWELSXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-5-4-6-17(14(13)2)22-12-18(20)19-11-15-7-9-16(21-3)10-8-15/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2711623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).