4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide

C29H28N2O4 — CID 57395749

IUPAC4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide
SMILESO=C1c2ccccc2-c2cccc(NC(=O)C3CCC(N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O)CC3)c21
InChIInChI=1S/C29H28N2O4/c32-26-21-5-2-1-4-19(21)20-6-3-7-22(25(20)26)30-27(33)15-10-12-18(13-11-15)31-28(34)23-16-8-9-17(14-16)24(23)29(31)35/h1-7,15-18,23-24H,8-14H2,(H,30,33)/t15?,16-,17+,18?,23-,24+
InChIKeyKRWMJLXFLLTBFR-JTXKUEKJSA-N
MW468.55 g/mol
LogP4.43
Rot. Bonds3

About 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide

4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide (PubChem CID 57395749) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 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-(9-oxofluoren-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-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide
PubChem CID57395749
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC Name4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide
SMILESO=C1c2ccccc2-c2cccc(NC(=O)C3CCC(N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O)CC3)c21
InChIInChI=1S/C29H28N2O4/c32-26-21-5-2-1-4-19(21)20-6-3-7-22(25(20)26)30-27(33)15-10-12-18(13-11-15)31-28(34)23-16-8-9-17(14-16)24(23)29(31)35/h1-7,15-18,23-24H,8-14H2,(H,30,33)/t15?,16-,17+,18?,23-,24+
InChIKeyKRWMJLXFLLTBFR-JTXKUEKJSA-N
XLogP4.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.43
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-(9-oxofluoren-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-(9-oxofluoren-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-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide (CID 57395749) is 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(9-oxofluoren-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-(9-oxofluoren-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-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide is O=C1c2ccccc2-c2cccc(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-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide?
The InChIKey is KRWMJLXFLLTBFR-JTXKUEKJSA-N. The full InChI is InChI=1S/C29H28N2O4/c32-26-21-5-2-1-4-19(21)20-6-3-7-22(25(20)26)30-27(33)15-10-12-18(13-11-15)31-28(34)23-16-8-9-17(14-16)24(23)29(31)35/h1-7,15-18,23-24H,8-14H2,(H,30,33)/t15?,16-,17+,18?,23-,24+.
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-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide?
4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 4.43, 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-(9-oxofluoren-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 57395749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).