N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide

C22H22N2O4 — CID 60525181

IUPACN-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C22H22N2O4/c1-26-21-6-2-4-17(12-21)14-24-22(25)16-28-20-9-7-19(8-10-20)27-15-18-5-3-11-23-13-18/h2-13H,14-16H2,1H3,(H,24,25)
InChIKeyNPFVRQAPVXCKAC-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.36
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide

N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide (PubChem CID 60525181) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
PubChem CID60525181
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C22H22N2O4/c1-26-21-6-2-4-17(12-21)14-24-22(25)16-28-20-9-7-19(8-10-20)27-15-18-5-3-11-23-13-18/h2-13H,14-16H2,1H3,(H,24,25)
InChIKeyNPFVRQAPVXCKAC-UHFFFAOYSA-N
XLogP3.36
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
N-(2-methoxy-5-methylphenyl)-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525115
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55880789
5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 55839775

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide (CID 60525181) is N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide is COc1cccc(CNC(=O)COc2ccc(OCc3cccnc3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide?
The InChIKey is NPFVRQAPVXCKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-21-6-2-4-17(12-21)14-24-22(25)16-28-20-9-7-19(8-10-20)27-15-18-5-3-11-23-13-18/h2-13H,14-16H2,1H3,(H,24,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide is sourced from PubChem (CID 60525181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).