N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide

About N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide

N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 158732789) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name	N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID	158732789
Molecular Formula	C24H25NO4
Molecular Weight	391.47 g/mol
Exact Mass	391.18
IUPAC Name	N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide
SMILES	C=C1C[C@@H]2COC(=O)[C@]2(CCc2ccc(NC(=O)Cc3cccc(O)c3)cc2)C1
InChI	InChI=1S/C24H25NO4/c1-16-11-19-15-29-23(28)24(19,14-16)10-9-17-5-7-20(8-6-17)25-22(27)13-18-3-2-4-21(26)12-18/h2-8,12,19,26H,1,9-11,13-15H2,(H,25,27)/t19-,24-/m1/s1
InChIKey	ILHNUZBLMDCRMM-NTKDMRAZSA-N
XLogP	4.02
TPSA	75.63 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
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 N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide?

The IUPAC name of N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide (CID 158732789) is N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide.

What is the SMILES notation for N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide?

The canonical SMILES for N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide is C=C1C[C@@H]2COC(=O)[C@]2(CCc2ccc(NC(=O)Cc3cccc(O)c3)cc2)C1.

What is the InChIKey of N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide?

The InChIKey is ILHNUZBLMDCRMM-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-11-19-15-29-23(28)24(19,14-16)10-9-17-5-7-20(8-6-17)25-22(27)13-18-3-2-4-21(26)12-18/h2-8,12,19,26H,1,9-11,13-15H2,(H,25,27)/t19-,24-/m1/s1.

What are the key properties of N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide?

N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(3aR,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]ethyl]phenyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 158732789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).