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

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

(1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 133111133) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	133111133
Molecular Formula	C21H24N2O4
Molecular Weight	368.43 g/mol
Exact Mass	368.17
IUPAC Name	(1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	C=CCN(C)C(=O)C1C2C(=O)N(Cc3cccc(OC)c3)C[C@]23C=C[C@H]1O3
InChI	InChI=1S/C21H24N2O4/c1-4-10-22(2)19(24)17-16-8-9-21(27-16)13-23(20(25)18(17)21)12-14-6-5-7-15(11-14)26-3/h4-9,11,16-18H,1,10,12-13H2,2-3H3/t16-,17?,18?,21-/m1/s1
InChIKey	GQQXTDSQKWLJMM-FRVUEHSBSA-N
XLogP	1.62
TPSA	59.08 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of (1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 133111133) is (1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is C=CCN(C)C(=O)C1C2C(=O)N(Cc3cccc(OC)c3)C[C@]23C=C[C@H]1O3.

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

The InChIKey is GQQXTDSQKWLJMM-FRVUEHSBSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-10-22(2)19(24)17-16-8-9-21(27-16)13-23(20(25)18(17)21)12-14-6-5-7-15(11-14)26-3/h4-9,11,16-18H,1,10,12-13H2,2-3H3/t16-,17?,18?,21-/m1/s1.

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

(1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,7R)-3-[(3-methoxyphenyl)methyl]-N-methyl-4-oxo-N-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 133111133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).