2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C20H29NO — CID 82101392

IUPAC2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CNC1CCCCCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H29NO/c22-20(15-21-19-10-4-2-1-3-5-11-19)18-13-12-16-8-6-7-9-17(16)14-18/h12-14,19,21H,1-11,15H2
InChIKeyMYJCMQNBVBJVAJ-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.45
Rot. Bonds4

About 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 82101392) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID82101392
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CNC1CCCCCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H29NO/c22-20(15-21-19-10-4-2-1-3-5-11-19)18-13-12-16-8-6-7-9-17(16)14-18/h12-14,19,21H,1-11,15H2
InChIKeyMYJCMQNBVBJVAJ-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 82257913
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307
1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
CID 82101744
1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
CID 82101742
2-(2-hydroxyethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101380
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450
1-(3-cyclobutylphenyl)-2-(cyclopentylamino)ethanone
CID 114607490
2-amino-5-[2-(cyclobutylamino)acetyl]benzonitrile;hydrochloride
CID 22765844

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 82101392) is 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(CNC1CCCCCCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is MYJCMQNBVBJVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c22-20(15-21-19-10-4-2-1-3-5-11-19)18-13-12-16-8-6-7-9-17(16)14-18/h12-14,19,21H,1-11,15H2.
What are the key properties of 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 299.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 82101392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).