N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide

C24H33NO3 — CID 156715869

About N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide

N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide (PubChem CID 156715869) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide
• PubChem CID: 156715869
• Molecular Formula: C24H33NO3
• Molecular Weight: 383.53 g/mol
• Exact Mass: 383.25
• IUPAC Name: N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide
• SMILES: C=C1Oc2cc(CCCCC)c(C(C)NC(C)=O)c(O)c2C2C=C(C)CCC12
• InChI: InChI=1S/C24H33NO3/c1-6-7-8-9-18-13-21-23(24(27)22(18)15(3)25-17(5)26)20-12-14(2)10-11-19(20)16(4)28-21/h12-13,15,19-20,27H,4,6-11H2,1-3,5H3,(H,25,26)
• InChIKey: BOHPYEGMQBBXQD-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.53
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide?

The IUPAC name of N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide (CID 156715869) is N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide.

What is the SMILES notation for N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide?

The canonical SMILES for N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide is C=C1Oc2cc(CCCCC)c(C(C)NC(C)=O)c(O)c2C2C=C(C)CCC12.

What is the InChIKey of N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide?

The InChIKey is BOHPYEGMQBBXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-6-7-8-9-18-13-21-23(24(27)22(18)15(3)25-17(5)26)20-12-14(2)10-11-19(20)16(4)28-21/h12-13,15,19-20,27H,4,6-11H2,1-3,5H3,(H,25,26).

What are the key properties of N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide?

N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide has a molecular weight of 383.53 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-hydroxy-9-methyl-6-methylidene-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)ethyl]acetamide is sourced from PubChem (CID 156715869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).