5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one

C18H30N2O2 — CID 146183460

IUPAC5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
SMILESCCCC(=O)C(CC(C)C)n1cc(CCN(C)C)ccc1=O
InChIInChI=1S/C18H30N2O2/c1-6-7-17(21)16(12-14(2)3)20-13-15(8-9-18(20)22)10-11-19(4)5/h8-9,13-14,16H,6-7,10-12H2,1-5H3
InChIKeyHKFPHERPBOMLGD-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.91
Rot. Bonds9

About 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one

5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one (PubChem CID 146183460) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
PubChem CID146183460
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
SMILESCCCC(=O)C(CC(C)C)n1cc(CCN(C)C)ccc1=O
InChIInChI=1S/C18H30N2O2/c1-6-7-17(21)16(12-14(2)3)20-13-15(8-9-18(20)22)10-11-19(4)5/h8-9,13-14,16H,6-7,10-12H2,1-5H3
InChIKeyHKFPHERPBOMLGD-UHFFFAOYSA-N
XLogP2.91
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(Azetidin-1-yl)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156283469
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
CID 153352728
5-[2-(Dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156728377
5-[3-(Dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156728616
3-(Difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
CID 156728660
(2R)-4-acetyl-1-[(E)-dec-2-enoyl]-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 9884080
4-acetyl-1-[(E)-dec-2-enoyl]-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 17936449
3-[2-(1-Methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one
CID 22973372
1-Cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one
CID 58170164
4-acetyl-1-dec-2-enoyl-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 70185795
3-[4-(2-Oxo-3-propan-2-yl-1-pyridinyl)pentyl]-1-propan-2-ylpyridin-2-one
CID 132076823
(2S)-2-butyl-4-methyl-N-[(3Z,5E)-6-methylnona-1,3,5-trien-5-yl]-N-(2-oxopropyl)hexanamide
CID 141869850

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one (CID 146183460) is 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one is CCCC(=O)C(CC(C)C)n1cc(CCN(C)C)ccc1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The InChIKey is HKFPHERPBOMLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-7-17(21)16(12-14(2)3)20-13-15(8-9-18(20)22)10-11-19(4)5/h8-9,13-14,16H,6-7,10-12H2,1-5H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one has a molecular weight of 306.45 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one is sourced from PubChem (CID 146183460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).