8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide

C26H38N2O4 — CID 20768033

IUPAC8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN2C(=O)C(C(=O)C3C(C)C=CC4CCCCC43)=CC12O
InChIInChI=1S/C26H38N2O4/c1-4-13-27(14-5-2)25(31)21-12-15-28-24(30)20(16-26(21,28)32)23(29)22-17(3)10-11-18-8-6-7-9-19(18)22/h10-11,16-19,21-22,32H,4-9,12-15H2,1-3H3
InChIKeySMDOFZOIWNOYNZ-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.31
Rot. Bonds7

About 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide

8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide (PubChem CID 20768033) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
PubChem CID20768033
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC Name8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN2C(=O)C(C(=O)C3C(C)C=CC4CCCCC43)=CC12O
InChIInChI=1S/C26H38N2O4/c1-4-13-27(14-5-2)25(31)21-12-15-28-24(30)20(16-26(21,28)32)23(29)22-17(3)10-11-18-8-6-7-9-19(18)22/h10-11,16-19,21-22,32H,4-9,12-15H2,1-3H3
InChIKeySMDOFZOIWNOYNZ-UHFFFAOYSA-N
XLogP3.31
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The IUPAC name of 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide (CID 20768033) is 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide.
What is the SMILES notation for 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The canonical SMILES for 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide is CCCN(CCC)C(=O)C1CCN2C(=O)C(C(=O)C3C(C)C=CC4CCCCC43)=CC12O.
What is the InChIKey of 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The InChIKey is SMDOFZOIWNOYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4/c1-4-13-27(14-5-2)25(31)21-12-15-28-24(30)20(16-26(21,28)32)23(29)22-17(3)10-11-18-8-6-7-9-19(18)22/h10-11,16-19,21-22,32H,4-9,12-15H2,1-3H3.
What are the key properties of 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 20768033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).