2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

C12H18N2O3 — CID 47035760

IUPAC2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCCOC(C)C(=O)NCc1cccnc1OC
InChIInChI=1S/C12H18N2O3/c1-4-17-9(2)11(15)14-8-10-6-5-7-13-12(10)16-3/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyXOQWTXVFTBRHIX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds6

About 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 47035760) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID47035760
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCCOC(C)C(=O)NCc1cccnc1OC
InChIInChI=1S/C12H18N2O3/c1-4-17-9(2)11(15)14-8-10-6-5-7-13-12(10)16-3/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyXOQWTXVFTBRHIX-UHFFFAOYSA-N
XLogP1.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (CID 47035760) is 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is CCOC(C)C(=O)NCc1cccnc1OC.
What is the InChIKey of 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is XOQWTXVFTBRHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-17-9(2)11(15)14-8-10-6-5-7-13-12(10)16-3/h5-7,9H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 238.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 47035760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).