3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C22H24N2O3 — CID 124772895

IUPAC3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H24N2O3/c25-18(23-17-7-3-5-13-4-1-2-6-16(13)17)10-11-24-21(26)19-14-8-9-15(12-14)20(19)22(24)27/h1-2,4,6,8-9,14-15,17,19-20H,3,5,7,10-12H2,(H,23,25)/t14-,15-,17+,19+,20+/m0/s1
InChIKeyLUYDYUNUZBCJEW-JGKKSEDXSA-N
MW364.45 g/mol
LogP2.38
Rot. Bonds4

About 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 124772895) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID124772895
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H24N2O3/c25-18(23-17-7-3-5-13-4-1-2-6-16(13)17)10-11-24-21(26)19-14-8-9-15(12-14)20(19)22(24)27/h1-2,4,6,8-9,14-15,17,19-20H,3,5,7,10-12H2,(H,23,25)/t14-,15-,17+,19+,20+/m0/s1
InChIKeyLUYDYUNUZBCJEW-JGKKSEDXSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129421535
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 11909786
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 124703488
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651
(2S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 125118742
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7688342
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 124772895) is 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is LUYDYUNUZBCJEW-JGKKSEDXSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-18(23-17-7-3-5-13-4-1-2-6-16(13)17)10-11-24-21(26)19-14-8-9-15(12-14)20(19)22(24)27/h1-2,4,6,8-9,14-15,17,19-20H,3,5,7,10-12H2,(H,23,25)/t14-,15-,17+,19+,20+/m0/s1.
What are the key properties of 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 124772895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).