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

C22H21NO5 — CID 55638373

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)ccc1O
InChIInChI=1S/C22H21NO5/c1-26-21-13-16(7-12-20(21)24)14-23-22(25)15-27-17-8-10-19(11-9-17)28-18-5-3-2-4-6-18/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyDEPSREHVBNBZQY-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.89
Rot. Bonds8

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

N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide (PubChem CID 55638373) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
PubChem CID55638373
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)ccc1O
InChIInChI=1S/C22H21NO5/c1-26-21-13-16(7-12-20(21)24)14-23-22(25)15-27-17-8-10-19(11-9-17)28-18-5-3-2-4-6-18/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyDEPSREHVBNBZQY-UHFFFAOYSA-N
XLogP3.89
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638249
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55845333
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 2568679
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
2-methyl-N-[4-[[[2-(4-phenoxyphenoxy)acetyl]amino]methyl]phenyl]propanamide
CID 55509837

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide (CID 55638373) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide is COc1cc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is DEPSREHVBNBZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-21-13-16(7-12-20(21)24)14-23-22(25)15-27-17-8-10-19(11-9-17)28-18-5-3-2-4-6-18/h2-13,24H,14-15H2,1H3,(H,23,25).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 379.41 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 55638373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).