4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide

C26H30N2O4 — CID 56924733

IUPAC4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide
SMILESO=C1CCCc2cccc(NC(=O)C3CCC(N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O)CC3)c21
InChIInChI=1S/C26H30N2O4/c29-20-6-2-4-14-3-1-5-19(21(14)20)27-24(30)15-9-11-18(12-10-15)28-25(31)22-16-7-8-17(13-16)23(22)26(28)32/h1,3,5,15-18,22-23H,2,4,6-13H2,(H,27,30)/t15?,16-,17+,18?,22-,23+
InChIKeySTZHJWWJMHAPHU-XOSIIVGXSA-N
MW434.54 g/mol
LogP3.73
Rot. Bonds3

About 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide

4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide (PubChem CID 56924733) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide
PubChem CID56924733
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide
SMILESO=C1CCCc2cccc(NC(=O)C3CCC(N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O)CC3)c21
InChIInChI=1S/C26H30N2O4/c29-20-6-2-4-14-3-1-5-19(21(14)20)27-24(30)15-9-11-18(12-10-15)28-25(31)22-16-7-8-17(13-16)23(22)26(28)32/h1,3,5,15-18,22-23H,2,4,6-13H2,(H,27,30)/t15?,16-,17+,18?,22-,23+
InChIKeySTZHJWWJMHAPHU-XOSIIVGXSA-N
XLogP3.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide (CID 56924733) is 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide is O=C1CCCc2cccc(NC(=O)C3CCC(N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O)CC3)c21.
What is the InChIKey of 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide?
The InChIKey is STZHJWWJMHAPHU-XOSIIVGXSA-N. The full InChI is InChI=1S/C26H30N2O4/c29-20-6-2-4-14-3-1-5-19(21(14)20)27-24(30)15-9-11-18(12-10-15)28-25(31)22-16-7-8-17(13-16)23(22)26(28)32/h1,3,5,15-18,22-23H,2,4,6-13H2,(H,27,30)/t15?,16-,17+,18?,22-,23+.
What are the key properties of 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide?
4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 56924733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).