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

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

(1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 70743161) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	70743161
Molecular Formula	C17H22N4O4
Molecular Weight	346.39 g/mol
Exact Mass	346.16
IUPAC Name	(1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	COCCN1C[C@]23C=C[C@H](O2)C(C(=O)N(C)Cc2ncc[nH]2)C3C1=O
InChI	InChI=1S/C17H22N4O4/c1-20(9-12-18-5-6-19-12)15(22)13-11-3-4-17(25-11)10-21(7-8-24-2)16(23)14(13)17/h3-6,11,13-14H,7-10H2,1-2H3,(H,18,19)/t11-,13?,14?,17-/m0/s1
InChIKey	AOMAGDNTDHRWEN-JQLKTRHNSA-N
XLogP	-0.20
TPSA	87.76 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	1
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)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 70743161) is (1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-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)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for (1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is COCCN1C[C@]23C=C[C@H](O2)C(C(=O)N(C)Cc2ncc[nH]2)C3C1=O.

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

The InChIKey is AOMAGDNTDHRWEN-JQLKTRHNSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-20(9-12-18-5-6-19-12)15(22)13-11-3-4-17(25-11)10-21(7-8-24-2)16(23)14(13)17/h3-6,11,13-14H,7-10H2,1-2H3,(H,18,19)/t11-,13?,14?,17-/m0/s1.

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

(1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,7S)-N-(1H-imidazol-2-ylmethyl)-3-(2-methoxyethyl)-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 70743161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).