(1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 70754237) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	70754237
Molecular Formula	C20H28N4O3
Molecular Weight	372.47 g/mol
Exact Mass	372.22
IUPAC Name	(1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	CN(Cc1nccn1C)C(=O)C1C2C(=O)N(CC(C)(C)C)C[C@@]23C=C[C@@H]1O3
InChI	InChI=1S/C20H28N4O3/c1-19(2,3)11-24-12-20-7-6-13(27-20)15(16(20)18(24)26)17(25)23(5)10-14-21-8-9-22(14)4/h6-9,13,15-16H,10-12H2,1-5H3/t13-,15?,16?,20-/m0/s1
InChIKey	CSHWNWXWVRXOPL-YPDVSMPASA-N
XLogP	1.21
TPSA	67.67 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 70754237) is (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

What is the SMILES notation for (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CN(Cc1nccn1C)C(=O)C1C2C(=O)N(CC(C)(C)C)C[C@@]23C=C[C@@H]1O3.

What is the InChIKey of (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The InChIKey is CSHWNWXWVRXOPL-YPDVSMPASA-N. The full InChI is InChI=1S/C20H28N4O3/c1-19(2,3)11-24-12-20-7-6-13(27-20)15(16(20)18(24)26)17(25)23(5)10-14-21-8-9-22(14)4/h6-9,13,15-16H,10-12H2,1-5H3/t13-,15?,16?,20-/m0/s1.

What are the key properties of (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

(1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,7S)-3-(2,2-dimethylpropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 70754237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).