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

C23H26N2O3 — CID 98363739

IUPACN-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
SMILESO=C1[C@@H]2[C@H](C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C23H26N2O3/c26-19(25(17-7-3-1-4-8-17)18-9-5-2-6-10-18)14-24-22(27)20-15-11-12-16(13-15)21(20)23(24)28/h1,3-4,7-8,11-12,15-16,18,20-21H,2,5-6,9-10,13-14H2/t15-,16-,20-,21+/m0/s1
InChIKeyDUISOHXJMKRNBR-SNHGZMDHSA-N
MW378.47 g/mol
LogP3.16
Rot. Bonds4

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

N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide (PubChem CID 98363739) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
PubChem CID98363739
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
SMILESO=C1[C@@H]2[C@H](C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C23H26N2O3/c26-19(25(17-7-3-1-4-8-17)18-9-5-2-6-10-18)14-24-22(27)20-15-11-12-16(13-15)21(20)23(24)28/h1,3-4,7-8,11-12,15-16,18,20-21H,2,5-6,9-10,13-14H2/t15-,16-,20-,21+/m0/s1
InChIKeyDUISOHXJMKRNBR-SNHGZMDHSA-N
XLogP3.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
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

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CID 98182241
N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
CID 98127607
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
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2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide
CID 21176111
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CID 7563635
N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide (CID 98363739) is N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide is O=C1[C@@H]2[C@H](C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1)[C@H]1C=C[C@H]2C1.
What is the InChIKey of N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide?
The InChIKey is DUISOHXJMKRNBR-SNHGZMDHSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-19(25(17-7-3-1-4-8-17)18-9-5-2-6-10-18)14-24-22(27)20-15-11-12-16(13-15)21(20)23(24)28/h1,3-4,7-8,11-12,15-16,18,20-21H,2,5-6,9-10,13-14H2/t15-,16-,20-,21+/m0/s1.
What are the key properties of N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide?
N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide has a molecular weight of 378.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide is sourced from PubChem (CID 98363739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).