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

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

(1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 98569014) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	98569014
Molecular Formula	C23H28N2O4
Molecular Weight	396.49 g/mol
Exact Mass	396.20
IUPAC Name	(1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	COc1ccc(CCNC(=O)[C@H]2[C@H]3C(=O)N(C4CCCC4)C[C@@]34C=C[C@H]2O4)cc1
InChI	InChI=1S/C23H28N2O4/c1-28-17-8-6-15(7-9-17)11-13-24-21(26)19-18-10-12-23(29-18)14-25(22(27)20(19)23)16-4-2-3-5-16/h6-10,12,16,18-20H,2-5,11,13-14H2,1H3,(H,24,26)/t18-,19-,20+,23+/m1/s1
InChIKey	FPYIDFYKKIULFJ-UGTOYMOASA-N
XLogP	2.08
TPSA	67.87 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	2.08
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,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 98569014) is (1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is COc1ccc(CCNC(=O)[C@H]2[C@H]3C(=O)N(C4CCCC4)C[C@@]34C=C[C@H]2O4)cc1.

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

The InChIKey is FPYIDFYKKIULFJ-UGTOYMOASA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-17-8-6-15(7-9-17)11-13-24-21(26)19-18-10-12-23(29-18)14-25(22(27)20(19)23)16-4-2-3-5-16/h6-10,12,16,18-20H,2-5,11,13-14H2,1H3,(H,24,26)/t18-,19-,20+,23+/m1/s1.

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

(1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5R,6S,7R)-3-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 98569014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).