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

C23H26N2O4 — CID 70687949

IUPAC4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide
SMILESCO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1
InChIInChI=1S/C23H26N2O4/c1-29-18-5-3-2-4-17(18)24-21(26)13-8-10-16(11-9-13)25-22(27)19-14-6-7-15(12-14)20(19)23(25)28/h6-11,14-15,17-20H,2-5,12H2,1H3,(H,24,26)/t14-,15+,17-,18-,19-,20+/m0/s1
InChIKeyCIGXOLIPWYJQER-ZLKCZHQWSA-N
MW394.47 g/mol
LogP2.69
Rot. Bonds4

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

4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide (PubChem CID 70687949) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide
PubChem CID70687949
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide
SMILESCO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1
InChIInChI=1S/C23H26N2O4/c1-29-18-5-3-2-4-17(18)24-21(26)13-8-10-16(11-9-13)25-22(27)19-14-6-7-15(12-14)20(19)23(25)28/h6-11,14-15,17-20H,2-5,12H2,1H3,(H,24,26)/t14-,15+,17-,18-,19-,20+/m0/s1
InChIKeyCIGXOLIPWYJQER-ZLKCZHQWSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S,7R)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide
CID 91929846
methyl 4-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
CID 6542389
4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methylbenzamide
CID 98272705
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide
CID 75434169
4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 124775313
4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 98119155
4-(4-acetylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3094949
4-[(1R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoic acid
CID 91653720
4-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 4191707
N-(2,6-dimethylphenyl)-4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7409758
4-[(1S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 91653718

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide?
The IUPAC name of 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide (CID 70687949) is 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide.
What is the SMILES notation for 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide?
The canonical SMILES for 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide is CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1.
What is the InChIKey of 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide?
The InChIKey is CIGXOLIPWYJQER-ZLKCZHQWSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-29-18-5-3-2-4-17(18)24-21(26)13-8-10-16(11-9-13)25-22(27)19-14-6-7-15(12-14)20(19)23(25)28/h6-11,14-15,17-20H,2-5,12H2,1H3,(H,24,26)/t14-,15+,17-,18-,19-,20+/m0/s1.
What are the key properties of 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide?
4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1S,2S)-2-methoxycyclohexyl]benzamide is sourced from PubChem (CID 70687949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).