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

C22H21NO4 — CID 2681736

IUPACN-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO4/c1-25-18-12-10-17(11-13-18)15-23-22(24)16-26-20-8-5-9-21(14-20)27-19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyAQIDTNSGVDYHLG-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.18
Rot. Bonds8

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

N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide (PubChem CID 2681736) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
PubChem CID2681736
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO4/c1-25-18-12-10-17(11-13-18)15-23-22(24)16-26-20-8-5-9-21(14-20)27-19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyAQIDTNSGVDYHLG-UHFFFAOYSA-N
XLogP4.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55638373
N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 55577770
N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
CID 94614124
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
2-(3-acetylphenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307790
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide (CID 2681736) is N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide is COc1ccc(CNC(=O)COc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide?
The InChIKey is AQIDTNSGVDYHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-18-12-10-17(11-13-18)15-23-22(24)16-26-20-8-5-9-21(14-20)27-19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide has a molecular weight of 363.41 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide is sourced from PubChem (CID 2681736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).