(1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About (1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 70766601) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	70766601
Molecular Formula	C24H26N2O4
Molecular Weight	406.48 g/mol
Exact Mass	406.19
IUPAC Name	(1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)C(C(=O)N(C)Cc3ccco3)C4C2=O)cc1
InChI	InChI=1S/C24H26N2O4/c1-15(2)16-6-8-17(9-7-16)26-14-24-11-10-19(30-24)20(21(24)23(26)28)22(27)25(3)13-18-5-4-12-29-18/h4-12,15,19-21H,13-14H2,1-3H3/t19-,20?,21?,24-/m0/s1
InChIKey	RYHMIIBGLFRJCP-YOTFRABOSA-N
XLogP	3.35
TPSA	62.99 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.48
LogP ≤ 5	3.35
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 (1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 70766601) is (1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)C(C(=O)N(C)Cc3ccco3)C4C2=O)cc1.

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

The InChIKey is RYHMIIBGLFRJCP-YOTFRABOSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-15(2)16-6-8-17(9-7-16)26-14-24-11-10-19(30-24)20(21(24)23(26)28)22(27)25(3)13-18-5-4-12-29-18/h4-12,15,19-21H,13-14H2,1-3H3/t19-,20?,21?,24-/m0/s1.

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

(1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,7S)-N-(furan-2-ylmethyl)-N-methyl-4-oxo-3-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 70766601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).