N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide

C13H19NO4 — CID 885551

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-16-9-13(15)14-7-6-10-4-5-11(17-2)12(8-10)18-3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyAPMCCXBCXSTIFI-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.01
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide (PubChem CID 885551) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide
PubChem CID885551
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-16-9-13(15)14-7-6-10-4-5-11(17-2)12(8-10)18-3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyAPMCCXBCXSTIFI-UHFFFAOYSA-N
XLogP1.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide (CID 885551) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide is COCC(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide?
The InChIKey is APMCCXBCXSTIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-9-13(15)14-7-6-10-4-5-11(17-2)12(8-10)18-3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide has a molecular weight of 253.30 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 885551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).