8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide

C20H25NO2 — CID 102560238

IUPAC8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCC1CCCc2ccccc21)C1CC2CCC(C1)C2=O
InChIInChI=1S/C20H25NO2/c22-19-14-8-9-15(19)11-17(10-14)20(23)21-12-16-6-3-5-13-4-1-2-7-18(13)16/h1-2,4,7,14-17H,3,5-6,8-12H2,(H,21,23)
InChIKeyDRVNUITZKXMBHU-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.23
Rot. Bonds3

About 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide

8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide (PubChem CID 102560238) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
PubChem CID102560238
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCC1CCCc2ccccc21)C1CC2CCC(C1)C2=O
InChIInChI=1S/C20H25NO2/c22-19-14-8-9-15(19)11-17(10-14)20(23)21-12-16-6-3-5-13-4-1-2-7-18(13)16/h1-2,4,7,14-17H,3,5-6,8-12H2,(H,21,23)
InChIKeyDRVNUITZKXMBHU-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 51942286
3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155961663
(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 94002234
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 22922689
(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98289017
(2S,4S)-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632479
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethyl]piperidine-3-carboxamide
CID 124786781
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488

Frequently Asked Questions

What is the IUPAC name of 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide (CID 102560238) is 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide is O=C(NCC1CCCc2ccccc21)C1CC2CCC(C1)C2=O.
What is the InChIKey of 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is DRVNUITZKXMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-19-14-8-9-15(19)11-17(10-14)20(23)21-12-16-6-3-5-13-4-1-2-7-18(13)16/h1-2,4,7,14-17H,3,5-6,8-12H2,(H,21,23).
What are the key properties of 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide?
8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 311.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 102560238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).