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

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

(1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 124867321) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is (1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	124867321
Molecular Formula	C25H26N2O4
Molecular Weight	418.49 g/mol
Exact Mass	418.19
IUPAC Name	(1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	COc1ccccc1CNC(=O)[C@@H]1[C@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3
InChI	InChI=1S/C25H26N2O4/c1-30-19-10-6-5-9-18(19)15-26-23(28)21-20-11-13-25(31-20)16-27(24(29)22(21)25)14-12-17-7-3-2-4-8-17/h2-11,13,20-22H,12,14-16H2,1H3,(H,26,28)/t20-,21+,22+,25+/m1/s1
InChIKey	CRYARQYKKUZZFF-KXEAFHOWSA-N
XLogP	2.34
TPSA	67.87 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
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 (1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 124867321) is (1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is COc1ccccc1CNC(=O)[C@@H]1[C@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3.

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

The InChIKey is CRYARQYKKUZZFF-KXEAFHOWSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-30-19-10-6-5-9-18(19)15-26-23(28)21-20-11-13-25(31-20)16-27(24(29)22(21)25)14-12-17-7-3-2-4-8-17/h2-11,13,20-22H,12,14-16H2,1H3,(H,26,28)/t20-,21+,22+,25+/m1/s1.

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

(1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5R,6R,7R)-N-[(2-methoxyphenyl)methyl]-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 124867321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).