2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide

C24H30N4O7 — CID 75020857

IUPAC2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide
SMILESCC(=O)N1CC2CCCCC(NC(=O)c3ccccc3)C(=O)N2C(C(=O)NC2CC(=O)OC2O)C1
InChIInChI=1S/C24H30N4O7/c1-14(29)27-12-16-9-5-6-10-17(25-21(31)15-7-3-2-4-8-15)23(33)28(16)19(13-27)22(32)26-18-11-20(30)35-24(18)34/h2-4,7-8,16-19,24,34H,5-6,9-13H2,1H3,(H,25,31)(H,26,32)
InChIKeyYBUQKGADXMDZCC-UHFFFAOYSA-N
MW486.53 g/mol
LogP-0.46
Rot. Bonds4

About 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide

2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide (PubChem CID 75020857) has the molecular formula C24H30N4O7 and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide.

Molecular Properties

Compound Name2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide
PubChem CID75020857
Molecular FormulaC24H30N4O7
Molecular Weight486.53 g/mol
Exact Mass486.21
IUPAC Name2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide
SMILESCC(=O)N1CC2CCCCC(NC(=O)c3ccccc3)C(=O)N2C(C(=O)NC2CC(=O)OC2O)C1
InChIInChI=1S/C24H30N4O7/c1-14(29)27-12-16-9-5-6-10-17(25-21(31)15-7-3-2-4-8-15)23(33)28(16)19(13-27)22(32)26-18-11-20(30)35-24(18)34/h2-4,7-8,16-19,24,34H,5-6,9-13H2,1H3,(H,25,31)(H,26,32)
InChIKeyYBUQKGADXMDZCC-UHFFFAOYSA-N
XLogP-0.46
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide?
The IUPAC name of 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide (CID 75020857) is 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide.
What is the SMILES notation for 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide?
The canonical SMILES for 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide is CC(=O)N1CC2CCCCC(NC(=O)c3ccccc3)C(=O)N2C(C(=O)NC2CC(=O)OC2O)C1.
What is the InChIKey of 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide?
The InChIKey is YBUQKGADXMDZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O7/c1-14(29)27-12-16-9-5-6-10-17(25-21(31)15-7-3-2-4-8-15)23(33)28(16)19(13-27)22(32)26-18-11-20(30)35-24(18)34/h2-4,7-8,16-19,24,34H,5-6,9-13H2,1H3,(H,25,31)(H,26,32).
What are the key properties of 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide?
2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide has a molecular weight of 486.53 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-benzamido-N-(2-hydroxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide is sourced from PubChem (CID 75020857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).