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

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

(1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 124577535) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is (1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	124577535
Molecular Formula	C24H24N2O5
Molecular Weight	420.47 g/mol
Exact Mass	420.17
IUPAC Name	(1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	COc1cccc(CNC(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C[C@@]34C=C[C@H]2O4)c1
InChI	InChI=1S/C24H24N2O5/c1-29-17-7-3-5-15(11-17)13-25-22(27)20-19-9-10-24(31-19)14-26(23(28)21(20)24)16-6-4-8-18(12-16)30-2/h3-12,19-21H,13-14H2,1-2H3,(H,25,27)/t19-,20+,21+,24+/m1/s1
InChIKey	QUTJAEOZARQYDZ-XBJMDHIQSA-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 (1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 124577535) is (1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is COc1cccc(CNC(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C[C@@]34C=C[C@H]2O4)c1.

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

The InChIKey is QUTJAEOZARQYDZ-XBJMDHIQSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-29-17-7-3-5-15(11-17)13-25-22(27)20-19-9-10-24(31-19)14-26(23(28)21(20)24)16-6-4-8-18(12-16)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 (1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

(1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-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 (1R,5R,6R,7R)-3-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 124577535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).