N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine

C24H41NO7 — CID 134926010

IUPACN-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine
SMILESCC(C)C[C@@H](C#CCOC(C)(C)C)N(O)[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C24H41NO7/c1-15(2)13-16(11-10-12-27-22(3,4)5)25(26)21-20-19(31-24(8,9)32-20)18(29-21)17-14-28-23(6,7)30-17/h15-21,26H,12-14H2,1-9H3/t16-,17-,18-,19+,20+,21-/m1/s1
InChIKeyGVLVGCQDUQEPNG-COXXTLHVSA-N
MW455.59 g/mol
LogP3.31
Rot. Bonds6

About N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine

N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine (PubChem CID 134926010) has the molecular formula C24H41NO7 and a molecular weight of 455.59 g/mol. Its IUPAC name is N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine
PubChem CID134926010
Molecular FormulaC24H41NO7
Molecular Weight455.59 g/mol
Exact Mass455.29
IUPAC NameN-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine
SMILESCC(C)C[C@@H](C#CCOC(C)(C)C)N(O)[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C24H41NO7/c1-15(2)13-16(11-10-12-27-22(3,4)5)25(26)21-20-19(31-24(8,9)32-20)18(29-21)17-14-28-23(6,7)30-17/h15-21,26H,12-14H2,1-9H3/t16-,17-,18-,19+,20+,21-/m1/s1
InChIKeyGVLVGCQDUQEPNG-COXXTLHVSA-N
XLogP3.31
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine with MolForge

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Related Compounds

N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine
CID 101375141
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1S)-1-(1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 10478125
N-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 10863020
(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-[1-(2-methylpropoxy)ethoxy]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 58860262
(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 12719632
(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11436871
(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 102120302
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3-methylbutanoate
CID 23259793
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
(3aR,5R,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-ynoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 147251271
(3aR,5R,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-ynoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 158448016
(1R,2S,6R,7R,9R)-7-methoxy-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 14077905

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine?
The IUPAC name of N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine (CID 134926010) is N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine.
What is the SMILES notation for N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine?
The canonical SMILES for N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine is CC(C)C[C@@H](C#CCOC(C)(C)C)N(O)[C@@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine?
The InChIKey is GVLVGCQDUQEPNG-COXXTLHVSA-N. The full InChI is InChI=1S/C24H41NO7/c1-15(2)13-16(11-10-12-27-22(3,4)5)25(26)21-20-19(31-24(8,9)32-20)18(29-21)17-14-28-23(6,7)30-17/h15-21,26H,12-14H2,1-9H3/t16-,17-,18-,19+,20+,21-/m1/s1.
What are the key properties of N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine?
N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine has a molecular weight of 455.59 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine is sourced from PubChem (CID 134926010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).