1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate

C19H25NO3 — CID 86890641

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate
SMILESO=C(CN1CCCCCCC1=O)OC1CCc2ccccc2C1
InChIInChI=1S/C19H25NO3/c21-18-9-3-1-2-6-12-20(18)14-19(22)23-17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,17H,1-3,6,9-14H2
InChIKeyADKNOFBICYLIMN-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.88
Rot. Bonds3

About 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate

1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate (PubChem CID 86890641) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate
PubChem CID86890641
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate
SMILESO=C(CN1CCCCCCC1=O)OC1CCc2ccccc2C1
InChIInChI=1S/C19H25NO3/c21-18-9-3-1-2-6-12-20(18)14-19(22)23-17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,17H,1-3,6,9-14H2
InChIKeyADKNOFBICYLIMN-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylcyclohexyl) 2-(2-oxoazocan-1-yl)acetate
CID 86997638
1-[2-oxo-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 56883257
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
N-(2-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78891418
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856
(1-oxo-1-phenylpropan-2-yl) 2-(2-oxoazepan-1-yl)acetate
CID 55311890
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
1-[2-(2-chlorophenyl)-2-oxoethyl]azepan-2-one
CID 62024083
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
1,2,3,4-tetrahydronaphthalen-2-yl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 86890584
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate (CID 86890641) is 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate is O=C(CN1CCCCCCC1=O)OC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate?
The InChIKey is ADKNOFBICYLIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18-9-3-1-2-6-12-20(18)14-19(22)23-17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,17H,1-3,6,9-14H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate?
1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate has a molecular weight of 315.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-oxoazocan-1-yl)acetate is sourced from PubChem (CID 86890641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).