(2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide

C18H31NO7 — CID 102094692

IUPAC(2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide
SMILESCCN(CC)C(=O)[C@H](O)[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C18H31NO7/c1-7-19(8-2)16(21)11(20)13-15-14(25-18(5,6)26-15)12-10(23-13)9-22-17(3,4)24-12/h10-15,20H,7-9H2,1-6H3/t10-,11-,12+,13+,14-,15-/m1/s1
InChIKeySETSYRGDDWSXMD-PEZGRIKUSA-N
MW373.45 g/mol
LogP0.65
Rot. Bonds4

About (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide

(2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide (PubChem CID 102094692) has the molecular formula C18H31NO7 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide.

Molecular Properties

Compound Name(2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide
PubChem CID102094692
Molecular FormulaC18H31NO7
Molecular Weight373.45 g/mol
Exact Mass373.21
IUPAC Name(2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide
SMILESCCN(CC)C(=O)[C@H](O)[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C18H31NO7/c1-7-19(8-2)16(21)11(20)13-15-14(25-18(5,6)26-15)12-10(23-13)9-22-17(3,4)24-12/h10-15,20H,7-9H2,1-6H3/t10-,11-,12+,13+,14-,15-/m1/s1
InChIKeySETSYRGDDWSXMD-PEZGRIKUSA-N
XLogP0.65
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide with MolForge

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Related Compounds

(2S)-N,N-diethyl-2-hydroxy-2-[(1R,2S,6R,7R,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide
CID 10714394
(2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-2-hydroxyacetamide
CID 67654613
2-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-hydroxy-N-propylacetamide
CID 134517622
(3S,4R,5S,6R)-N-(1,3-dioxolan-2-ylmethyl)-3,4,5-trihydroxy-6-[(1S)-1-methoxyethyl]-N-methyloxane-2-carboxamide
CID 173996129
(2R,3S)-3-[(4aR,6S,7R,7aS)-7-hydroxy-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide
CID 10544622
(2R,3S)-3-[(2R,4aR,6S,7R,7aS)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide
CID 10567635
(2R)-N,N-diethyl-2-hydroxy-2-[(1R,2S,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide
CID 10595513
(2S,3R)-3-[(2S,4aR,6S,7R,7aR)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide
CID 10615570
[(1R)-2-(diethylamino)-2-oxo-1-[(1R,2S,6R,7R,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]ethyl] acetate
CID 10716750
(2S,3R)-3-[(2R,4aR,6S,7R,7aS)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-yl]-N,N-diethyl-2,3-dihydroxypropanamide
CID 10757968
(2S,3R)-3-[(1S,2R)-1,2-dihydroxy-2-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-N,N-diethyloxirane-2-carboxamide
CID 10759052
(2R,3S)-3-[(1S,2R)-1,2-dihydroxy-2-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-N,N-diethyloxirane-2-carboxamide
CID 10806542

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide?
The IUPAC name of (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide (CID 102094692) is (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide.
What is the SMILES notation for (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide?
The canonical SMILES for (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide is CCN(CC)C(=O)[C@H](O)[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide?
The InChIKey is SETSYRGDDWSXMD-PEZGRIKUSA-N. The full InChI is InChI=1S/C18H31NO7/c1-7-19(8-2)16(21)11(20)13-15-14(25-18(5,6)26-15)12-10(23-13)9-22-17(3,4)24-12/h10-15,20H,7-9H2,1-6H3/t10-,11-,12+,13+,14-,15-/m1/s1.
What are the key properties of (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide?
(2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-2-hydroxy-2-[(1S,2R,6R,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide is sourced from PubChem (CID 102094692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).