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

C23H32N2O4 — CID 20768034

IUPAC8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCCCNC(=O)C1CCN2C(=O)C(C(=O)C3C(C)C=CC4CCCCC43)=CC12O
InChIInChI=1S/C23H32N2O4/c1-3-11-24-21(27)18-10-12-25-22(28)17(13-23(18,25)29)20(26)19-14(2)8-9-15-6-4-5-7-16(15)19/h8-9,13-16,18-19,29H,3-7,10-12H2,1-2H3,(H,24,27)
InChIKeyDCAHJTYGBQCZMM-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.19
Rot. Bonds5

About 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N-propyl-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-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide (PubChem CID 20768034) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 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-propyl-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-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
PubChem CID20768034
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCCCNC(=O)C1CCN2C(=O)C(C(=O)C3C(C)C=CC4CCCCC43)=CC12O
InChIInChI=1S/C23H32N2O4/c1-3-11-24-21(27)18-10-12-25-22(28)17(13-23(18,25)29)20(26)19-14(2)8-9-15-6-4-5-7-16(15)19/h8-9,13-16,18-19,29H,3-7,10-12H2,1-2H3,(H,24,27)
InChIKeyDCAHJTYGBQCZMM-UHFFFAOYSA-N
XLogP2.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
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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Related Compounds

(1R,8S)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-N,N-dibutyl-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 59990854
(1R,8S)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-N,N-diethyl-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 59990859
methyl (1R,8S)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 59990868
(1R,8S)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-hydroxy-N,N-dimethyl-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 59990871
methyl (1R,8R)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-hydroxy-7-methyl-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 59990879
(1R,8S)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-hydroxy-5-oxo-N-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 59990881
(7R,8S)-2-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-hydroxy-7-(piperidine-1-carbonyl)-6,7-dihydro-5H-pyrrolizin-3-one
CID 59990884
(1R,8S)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 59990890
(1R,8S)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-N-butyl-8-hydroxy-N-methyl-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 59990893
(1R,8S)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-hydroxy-5-oxo-N,N-dipropyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 59990899
(8aS)-1,2,3,4,4a,5,6,8a-octahydronaphthalene;2-acetyl-8-hydroxy-6,7-dihydro-5H-pyrrolizin-3-one;N-propylformamide
CID 142058801
(1R)-6-[(2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 142058819

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-propyl-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-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide (CID 20768034) is 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-N-propyl-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-propyl-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-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide is CCCNC(=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-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The InChIKey is DCAHJTYGBQCZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-3-11-24-21(27)18-10-12-25-22(28)17(13-23(18,25)29)20(26)19-14(2)8-9-15-6-4-5-7-16(15)19/h8-9,13-16,18-19,29H,3-7,10-12H2,1-2H3,(H,24,27).
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-propyl-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-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 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-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 20768034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).