2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide

C18H25NO2 — CID 143154179

IUPAC2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
SMILESCC(C(N)=O)C(C)C(=O)CCC1CCc2ccccc2C1
InChIInChI=1S/C18H25NO2/c1-12(13(2)18(19)21)17(20)10-8-14-7-9-15-5-3-4-6-16(15)11-14/h3-6,12-14H,7-11H2,1-2H3,(H2,19,21)
InChIKeyYOWXPLUYNQERND-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.90
Rot. Bonds6

About 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide

2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide (PubChem CID 143154179) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
PubChem CID143154179
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
SMILESCC(C(N)=O)C(C)C(=O)CCC1CCc2ccccc2C1
InChIInChI=1S/C18H25NO2/c1-12(13(2)18(19)21)17(20)10-8-14-7-9-15-5-3-4-6-16(15)11-14/h3-6,12-14H,7-11H2,1-2H3,(H2,19,21)
InChIKeyYOWXPLUYNQERND-UHFFFAOYSA-N
XLogP2.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalene
CID 102001272
N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 57205354
2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene
CID 15752629
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 62305780
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene
CID 143252120
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
3-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 102420215
N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride
CID 170897051
1-(4-aminopiperidin-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;hydrochloride
CID 119375839

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide?
The IUPAC name of 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide (CID 143154179) is 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide.
What is the SMILES notation for 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide?
The canonical SMILES for 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide is CC(C(N)=O)C(C)C(=O)CCC1CCc2ccccc2C1.
What is the InChIKey of 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide?
The InChIKey is YOWXPLUYNQERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12(13(2)18(19)21)17(20)10-8-14-7-9-15-5-3-4-6-16(15)11-14/h3-6,12-14H,7-11H2,1-2H3,(H2,19,21).
What are the key properties of 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide?
2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide has a molecular weight of 287.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide is sourced from PubChem (CID 143154179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).