(1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide

C16H25NO6 — CID 166099008

About (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide

(1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide (PubChem CID 166099008) has the molecular formula C16H25NO6 and a molecular weight of 327.38 g/mol. Its IUPAC name is (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide.

Molecular Properties

• Compound Name: (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide
• PubChem CID: 166099008
• Molecular Formula: C16H25NO6
• Molecular Weight: 327.38 g/mol
• Exact Mass: 327.17
• IUPAC Name: (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide
• SMILES: C[C@H]1[C@H](C(=O)NO)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
• InChI: InChI=1S/C16H25NO6/c1-8-4-5-11-9(2)12(13(18)17-19)20-14-16(11)10(8)6-7-15(3,21-14)22-23-16/h8-12,14,19H,4-7H2,1-3H3,(H,17,18)/t8-,9-,10+,11+,12-,14-,15-,16-/m1/s1
• InChIKey: XTLBMIHEQMCHPM-PRUZWZHBSA-N
• XLogP: 1.74
• TPSA: 86.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.38
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide?

The IUPAC name of (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide (CID 166099008) is (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide.

What is the SMILES notation for (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide?

The canonical SMILES for (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide is C[C@H]1[C@H](C(=O)NO)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.

What is the InChIKey of (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide?

The InChIKey is XTLBMIHEQMCHPM-PRUZWZHBSA-N. The full InChI is InChI=1S/C16H25NO6/c1-8-4-5-11-9(2)12(13(18)17-19)20-14-16(11)10(8)6-7-15(3,21-14)22-23-16/h8-12,14,19H,4-7H2,1-3H3,(H,17,18)/t8-,9-,10+,11+,12-,14-,15-,16-/m1/s1.

What are the key properties of (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide?

(1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S,5R,8S,9R,10R,12R,13R)-N-hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane-10-carboxamide is sourced from PubChem (CID 166099008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).