N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide

C16H27NO7 — CID 53355409

IUPACN-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide
SMILESCC(=O)N[C@H]([C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)[C@@H](C)O
InChIInChI=1S/C16H27NO7/c1-7(18)9(17-8(2)19)10-11-12(22-15(3,4)21-11)13-14(20-10)24-16(5,6)23-13/h7,9-14,18H,1-6H3,(H,17,19)/t7-,9+,10-,11+,12+,13-,14-/m1/s1
InChIKeyLLZDXPIIRIDCEV-HGVZAONGSA-N
MW345.39 g/mol
LogP0.27
Rot. Bonds3

About N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide

N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide (PubChem CID 53355409) has the molecular formula C16H27NO7 and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide
PubChem CID53355409
Molecular FormulaC16H27NO7
Molecular Weight345.39 g/mol
Exact Mass345.18
IUPAC NameN-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide
SMILESCC(=O)N[C@H]([C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)[C@@H](C)O
InChIInChI=1S/C16H27NO7/c1-7(18)9(17-8(2)19)10-11-12(22-15(3,4)21-11)13-14(20-10)24-16(5,6)23-13/h7,9-14,18H,1-6H3,(H,17,19)/t7-,9+,10-,11+,12+,13-,14-/m1/s1
InChIKeyLLZDXPIIRIDCEV-HGVZAONGSA-N
XLogP0.27
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide (CID 53355409) is N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide is CC(=O)N[C@H]([C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)[C@@H](C)O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide?
The InChIKey is LLZDXPIIRIDCEV-HGVZAONGSA-N. The full InChI is InChI=1S/C16H27NO7/c1-7(18)9(17-8(2)19)10-11-12(22-15(3,4)21-11)13-14(20-10)24-16(5,6)23-13/h7,9-14,18H,1-6H3,(H,17,19)/t7-,9+,10-,11+,12+,13-,14-/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide?
N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propyl]acetamide is sourced from PubChem (CID 53355409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).