1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one

C11H18N2O2 — CID 134278026

IUPAC1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one
SMILESCOC(CNC(C)C)n1ccccc1=O
InChIInChI=1S/C11H18N2O2/c1-9(2)12-8-11(15-3)13-7-5-4-6-10(13)14/h4-7,9,11-12H,8H2,1-3H3
InChIKeyZBXBEESNUKMBCM-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.99
Rot. Bonds5

About 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one

1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one (PubChem CID 134278026) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one
PubChem CID134278026
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one
SMILESCOC(CNC(C)C)n1ccccc1=O
InChIInChI=1S/C11H18N2O2/c1-9(2)12-8-11(15-3)13-7-5-4-6-10(13)14/h4-7,9,11-12H,8H2,1-3H3
InChIKeyZBXBEESNUKMBCM-UHFFFAOYSA-N
XLogP0.99
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one (CID 134278026) is 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one is COC(CNC(C)C)n1ccccc1=O.
What is the InChIKey of 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one?
The InChIKey is ZBXBEESNUKMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)12-8-11(15-3)13-7-5-4-6-10(13)14/h4-7,9,11-12H,8H2,1-3H3.
What are the key properties of 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one?
1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 134278026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).