2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one

C16H28N2O4 — CID 94958622

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
SMILESCCCn1c(C)cc(=O)c(O)c1CN(CCOC)CCOC
InChIInChI=1S/C16H28N2O4/c1-5-6-18-13(2)11-15(19)16(20)14(18)12-17(7-9-21-3)8-10-22-4/h11,20H,5-10,12H2,1-4H3
InChIKeyMEVUISCPBBWHOK-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.37
Rot. Bonds10

About 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one

2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one (PubChem CID 94958622) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
PubChem CID94958622
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
SMILESCCCn1c(C)cc(=O)c(O)c1CN(CCOC)CCOC
InChIInChI=1S/C16H28N2O4/c1-5-6-18-13(2)11-15(19)16(20)14(18)12-17(7-9-21-3)8-10-22-4/h11,20H,5-10,12H2,1-4H3
InChIKeyMEVUISCPBBWHOK-UHFFFAOYSA-N
XLogP1.37
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one (CID 94958622) is 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one is CCCn1c(C)cc(=O)c(O)c1CN(CCOC)CCOC.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one?
The InChIKey is MEVUISCPBBWHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-5-6-18-13(2)11-15(19)16(20)14(18)12-17(7-9-21-3)8-10-22-4/h11,20H,5-10,12H2,1-4H3.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one?
2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one has a molecular weight of 312.41 g/mol, XLogP of 1.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one is sourced from PubChem (CID 94958622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).