2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide

About 2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide

2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide (PubChem CID 23392279) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name	2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide
PubChem CID	23392279
Molecular Formula	C27H31NO4
Molecular Weight	433.55 g/mol
Exact Mass	433.23
IUPAC Name	2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide
SMILES	C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)Cc3ccc(O)c(CC(C)C)c3)cc2)C1
InChI	InChI=1S/C27H31NO4/c1-17(2)10-21-12-20(6-9-24(21)29)13-25(30)28-23-7-4-19(5-8-23)15-27-14-18(3)11-22(27)16-32-26(27)31/h4-9,12,17,22,29H,3,10-11,13-16H2,1-2H3,(H,28,30)
InChIKey	PWJWUWORCJRJGK-UHFFFAOYSA-N
XLogP	4.82
TPSA	75.63 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	4.82
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 2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide (CID 23392279) is 2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide.

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

The canonical SMILES for 2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide is C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)Cc3ccc(O)c(CC(C)C)c3)cc2)C1.

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

The InChIKey is PWJWUWORCJRJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-17(2)10-21-12-20(6-9-24(21)29)13-25(30)28-23-7-4-19(5-8-23)15-27-14-18(3)11-22(27)16-32-26(27)31/h4-9,12,17,22,29H,3,10-11,13-16H2,1-2H3,(H,28,30).

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

2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-hydroxy-3-(2-methylpropyl)phenyl]-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 23392279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).