N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide

C37H53NO5 — CID 142110343

About N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide

N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 142110343) has the molecular formula C37H53NO5 and a molecular weight of 591.83 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide
• PubChem CID: 142110343
• Molecular Formula: C37H53NO5
• Molecular Weight: 591.83 g/mol
• Exact Mass: 591.39
• IUPAC Name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide
• SMILES: C=CCCC(=O)C(C)(O)C(CCC)CC(=O)C1C(C(=O)C(NC(=O)C(C)(C)C)C2Cc3ccccc3C2)CC2C1C2(C)C
• InChI: InChI=1S/C37H53NO5/c1-9-11-17-29(40)37(8,43)25(14-10-2)20-28(39)30-26(21-27-31(30)36(27,6)7)33(41)32(38-34(42)35(3,4)5)24-18-22-15-12-13-16-23(22)19-24/h9,12-13,15-16,24-27,30-32,43H,1,10-11,14,17-21H2,2-8H3,(H,38,42)
• InChIKey: FHGSZCVHGVOOMT-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 100.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.83
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 142110343) is N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide is C=CCCC(=O)C(C)(O)C(CCC)CC(=O)C1C(C(=O)C(NC(=O)C(C)(C)C)C2Cc3ccccc3C2)CC2C1C2(C)C.

What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide?

The InChIKey is FHGSZCVHGVOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53NO5/c1-9-11-17-29(40)37(8,43)25(14-10-2)20-28(39)30-26(21-27-31(30)36(27,6)7)33(41)32(38-34(42)35(3,4)5)24-18-22-15-12-13-16-23(22)19-24/h9,12-13,15-16,24-27,30-32,43H,1,10-11,14,17-21H2,2-8H3,(H,38,42).

What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide?

N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 591.83 g/mol, XLogP of 6.07, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-[2-(4-hydroxy-4-methyl-5-oxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 142110343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).