6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one

C18H30N2O3 — CID 155198756

IUPAC6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCCC2)n(OC(C)NC(C)(C)O)c(=O)c1
InChIInChI=1S/C18H30N2O3/c1-13-11-16(15-9-7-5-6-8-10-15)20(17(21)12-13)23-14(2)19-18(3,4)22/h11-12,14-15,19,22H,5-10H2,1-4H3
InChIKeyVAJWEASXYMYSEB-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.69
Rot. Bonds5

About 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one

6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one (PubChem CID 155198756) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one
PubChem CID155198756
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one
SMILESCc1cc(C2CCCCCC2)n(OC(C)NC(C)(C)O)c(=O)c1
InChIInChI=1S/C18H30N2O3/c1-13-11-16(15-9-7-5-6-8-10-15)20(17(21)12-13)23-14(2)19-18(3,4)22/h11-12,14-15,19,22H,5-10H2,1-4H3
InChIKeyVAJWEASXYMYSEB-UHFFFAOYSA-N
XLogP2.69
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pharmakon1600-01503875
CID 51371311
1-Aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 57465385
6-Cyclohexyl-4-methyl-1-[1-(methylamino)ethoxy]pyridin-2-one
CID 132047703
6-Cyclohexyl-1-hydroxy-4-methylpyridin-2-one;2-(ethylamino)ethanol
CID 162221947
2-(Ethylamino)ethanol;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one
CID 174693562

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one?
The IUPAC name of 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one (CID 155198756) is 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one.
What is the SMILES notation for 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one?
The canonical SMILES for 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one is Cc1cc(C2CCCCCC2)n(OC(C)NC(C)(C)O)c(=O)c1.
What is the InChIKey of 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one?
The InChIKey is VAJWEASXYMYSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13-11-16(15-9-7-5-6-8-10-15)20(17(21)12-13)23-14(2)19-18(3,4)22/h11-12,14-15,19,22H,5-10H2,1-4H3.
What are the key properties of 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one?
6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one has a molecular weight of 322.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one is sourced from PubChem (CID 155198756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).