2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide

C14H22N2O4 — CID 112978344

IUPAC2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCCN(C)C)c1OC
InChIInChI=1S/C14H22N2O4/c1-16(2)9-8-15-13(17)10-20-12-7-5-6-11(18-3)14(12)19-4/h5-7H,8-10H2,1-4H3,(H,15,17)
InChIKeyXWFQSGYBHGYMOV-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.76
Rot. Bonds8

About 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide

2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 112978344) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID112978344
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCCN(C)C)c1OC
InChIInChI=1S/C14H22N2O4/c1-16(2)9-8-15-13(17)10-20-12-7-5-6-11(18-3)14(12)19-4/h5-7H,8-10H2,1-4H3,(H,15,17)
InChIKeyXWFQSGYBHGYMOV-UHFFFAOYSA-N
XLogP0.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide (CID 112978344) is 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide is COc1cccc(OCC(=O)NCCN(C)C)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is XWFQSGYBHGYMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16(2)9-8-15-13(17)10-20-12-7-5-6-11(18-3)14(12)19-4/h5-7H,8-10H2,1-4H3,(H,15,17).
What are the key properties of 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide?
2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 112978344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).