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

C16H26N2O4 — CID 94958968

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
SMILESC=CCn1c(C)cc(=O)c(O)c1CN(CCOC)CCOC
InChIInChI=1S/C16H26N2O4/c1-5-6-18-13(2)11-15(19)16(20)14(18)12-17(7-9-21-3)8-10-22-4/h5,11,20H,1,6-10,12H2,2-4H3
InChIKeySRHKSGNZNFHIIM-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.14
Rot. Bonds10

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

2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one (PubChem CID 94958968) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
PubChem CID94958968
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
SMILESC=CCn1c(C)cc(=O)c(O)c1CN(CCOC)CCOC
InChIInChI=1S/C16H26N2O4/c1-5-6-18-13(2)11-15(19)16(20)14(18)12-17(7-9-21-3)8-10-22-4/h5,11,20H,1,6-10,12H2,2-4H3
InChIKeySRHKSGNZNFHIIM-UHFFFAOYSA-N
XLogP1.14
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one (CID 94958968) is 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one is C=CCn1c(C)cc(=O)c(O)c1CN(CCOC)CCOC.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one?
The InChIKey is SRHKSGNZNFHIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-5-6-18-13(2)11-15(19)16(20)14(18)12-17(7-9-21-3)8-10-22-4/h5,11,20H,1,6-10,12H2,2-4H3.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one?
2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one has a molecular weight of 310.39 g/mol, XLogP of 1.14, 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-prop-2-enylpyridin-4-one is sourced from PubChem (CID 94958968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).