N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide

C18H21NO5 — CID 66906931

IUPACN-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide
SMILESCOc1cc(O)ccc1CC(=O)Nc1cccc(C(OC)OC)c1
InChIInChI=1S/C18H21NO5/c1-22-16-11-15(20)8-7-12(16)10-17(21)19-14-6-4-5-13(9-14)18(23-2)24-3/h4-9,11,18,20H,10H2,1-3H3,(H,19,21)
InChIKeyHPHFMSOJWJAJNJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.87
Rot. Bonds7

About N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide

N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide (PubChem CID 66906931) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide
PubChem CID66906931
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide
SMILESCOc1cc(O)ccc1CC(=O)Nc1cccc(C(OC)OC)c1
InChIInChI=1S/C18H21NO5/c1-22-16-11-15(20)8-7-12(16)10-17(21)19-14-6-4-5-13(9-14)18(23-2)24-3/h4-9,11,18,20H,10H2,1-3H3,(H,19,21)
InChIKeyHPHFMSOJWJAJNJ-UHFFFAOYSA-N
XLogP2.87
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
2-(2-hydroxyphenyl)-N-(3-propan-2-ylphenyl)acetamide
CID 78990924
N-(3-acetylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767948
N-[4-(dimethoxymethyl)phenyl]-2-phenylacetamide
CID 56932051
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986921

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide (CID 66906931) is N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide is COc1cc(O)ccc1CC(=O)Nc1cccc(C(OC)OC)c1.
What is the InChIKey of N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide?
The InChIKey is HPHFMSOJWJAJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-22-16-11-15(20)8-7-12(16)10-17(21)19-14-6-4-5-13(9-14)18(23-2)24-3/h4-9,11,18,20H,10H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide?
N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide is sourced from PubChem (CID 66906931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).