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

C19H26N4O3 — CID 70741578

IUPAC(1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1C2C(=O)N(CC(C)(C)C)C[C@@]23C=C[C@@H]1O3
InChIInChI=1S/C19H26N4O3/c1-18(2,3)10-23-11-19-6-5-12(26-19)14(15(19)17(23)25)16(24)22(4)9-13-20-7-8-21-13/h5-8,12,14-15H,9-11H2,1-4H3,(H,20,21)/t12-,14?,15?,19-/m0/s1
InChIKeyQCJPUFJXIPAFON-QIBHSBDWSA-N
MW358.44 g/mol
LogP1.20
Rot. Bonds4

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

(1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 70741578) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-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-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID70741578
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1C2C(=O)N(CC(C)(C)C)C[C@@]23C=C[C@@H]1O3
InChIInChI=1S/C19H26N4O3/c1-18(2,3)10-23-11-19-6-5-12(26-19)14(15(19)17(23)25)16(24)22(4)9-13-20-7-8-21-13/h5-8,12,14-15H,9-11H2,1-4H3,(H,20,21)/t12-,14?,15?,19-/m0/s1
InChIKeyQCJPUFJXIPAFON-QIBHSBDWSA-N
XLogP1.20
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-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-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 70741578) is (1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-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-(1H-imidazol-2-ylmethyl)-N-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-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CN(Cc1ncc[nH]1)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-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The InChIKey is QCJPUFJXIPAFON-QIBHSBDWSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-18(2,3)10-23-11-19-6-5-12(26-19)14(15(19)17(23)25)16(24)22(4)9-13-20-7-8-21-13/h5-8,12,14-15H,9-11H2,1-4H3,(H,20,21)/t12-,14?,15?,19-/m0/s1.
What are the key properties of (1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
(1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-3-(2,2-dimethylpropyl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 70741578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).