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

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

(1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 176521257) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is (1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	176521257
Molecular Formula	C24H24N2O5
Molecular Weight	420.47 g/mol
Exact Mass	420.17
IUPAC Name	(1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	COc1cccc(N2C[C@@]34C=CC(O3)C(C(=O)NCc3ccccc3OC)C4C2=O)c1
InChI	InChI=1S/C24H24N2O5/c1-29-17-8-5-7-16(12-17)26-14-24-11-10-19(31-24)20(21(24)23(26)28)22(27)25-13-15-6-3-4-9-18(15)30-2/h3-12,19-21H,13-14H2,1-2H3,(H,25,27)/t19?,20?,21?,24-/m1/s1
InChIKey	ANIUOEFJHVZHBF-KGQZTBJRSA-N
XLogP	2.31
TPSA	77.10 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	2.31
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 (1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 176521257) is (1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is COc1cccc(N2C[C@@]34C=CC(O3)C(C(=O)NCc3ccccc3OC)C4C2=O)c1.

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

The InChIKey is ANIUOEFJHVZHBF-KGQZTBJRSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-29-17-8-5-7-16(12-17)26-14-24-11-10-19(31-24)20(21(24)23(26)28)22(27)25-13-15-6-3-4-9-18(15)30-2/h3-12,19-21H,13-14H2,1-2H3,(H,25,27)/t19?,20?,21?,24-/m1/s1.

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

(1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 176521257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).