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

C23H22N2O3 — CID 21176111

IUPAC2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide
SMILESO=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/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/h1-10,15-16,20-21H,11-14H2/t15-,16-,20-,21+/m0/s1
InChIKeyDBHNLPBNMCBOCW-SNHGZMDHSA-N
MW374.44 g/mol
LogP3.38
Rot. Bonds4

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

2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide (PubChem CID 21176111) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide
PubChem CID21176111
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide
SMILESO=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/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/h1-10,15-16,20-21H,11-14H2/t15-,16-,20-,21+/m0/s1
InChIKeyDBHNLPBNMCBOCW-SNHGZMDHSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide?
The IUPAC name of 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide (CID 21176111) is 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide is O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide?
The InChIKey is DBHNLPBNMCBOCW-SNHGZMDHSA-N. The full InChI is InChI=1S/C23H22N2O3/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/h1-10,15-16,20-21H,11-14H2/t15-,16-,20-,21+/m0/s1.
What are the key properties of 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide?
2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide has a molecular weight of 374.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N,N-diphenylacetamide is sourced from PubChem (CID 21176111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).