2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide

C17H20N2O4 — CID 70118244

IUPAC2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide
SMILESCOc1ccc(C(N)c2ccc(OCC(N)=O)cc2)c(OC)c1
InChIInChI=1S/C17H20N2O4/c1-21-13-7-8-14(15(9-13)22-2)17(19)11-3-5-12(6-4-11)23-10-16(18)20/h3-9,17H,10,19H2,1-2H3,(H2,18,20)
InChIKeySTFQILBJAVVQPM-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.62
Rot. Bonds7

About 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide

2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide (PubChem CID 70118244) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide
PubChem CID70118244
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide
SMILESCOc1ccc(C(N)c2ccc(OCC(N)=O)cc2)c(OC)c1
InChIInChI=1S/C17H20N2O4/c1-21-13-7-8-14(15(9-13)22-2)17(19)11-3-5-12(6-4-11)23-10-16(18)20/h3-9,17H,10,19H2,1-2H3,(H2,18,20)
InChIKeySTFQILBJAVVQPM-UHFFFAOYSA-N
XLogP1.62
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide (CID 70118244) is 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide is COc1ccc(C(N)c2ccc(OCC(N)=O)cc2)c(OC)c1.
What is the InChIKey of 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide?
The InChIKey is STFQILBJAVVQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-13-7-8-14(15(9-13)22-2)17(19)11-3-5-12(6-4-11)23-10-16(18)20/h3-9,17H,10,19H2,1-2H3,(H2,18,20).
What are the key properties of 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide?
2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[amino-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide is sourced from PubChem (CID 70118244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).