N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide

C17H28N2O8 — CID 171448434

IUPACN-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CN(C)C(=O)CC1OC2OC(C3COC(C)O3)C(O)C2O1
InChIInChI=1S/C17H28N2O8/c1-5-11(20)18(3)8-19(4)12(21)6-13-25-16-14(22)15(27-17(16)26-13)10-7-23-9(2)24-10/h9-10,13-17,22H,5-8H2,1-4H3
InChIKeyHUKOZUAIUSMTRZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP-0.75
Rot. Bonds6

About N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide

N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide (PubChem CID 171448434) has the molecular formula C17H28N2O8 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide
PubChem CID171448434
Molecular FormulaC17H28N2O8
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC NameN-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CN(C)C(=O)CC1OC2OC(C3COC(C)O3)C(O)C2O1
InChIInChI=1S/C17H28N2O8/c1-5-11(20)18(3)8-19(4)12(21)6-13-25-16-14(22)15(27-17(16)26-13)10-7-23-9(2)24-10/h9-10,13-17,22H,5-8H2,1-4H3
InChIKeyHUKOZUAIUSMTRZ-UHFFFAOYSA-N
XLogP-0.75
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide with MolForge

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Related Compounds

N'-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]-N,N,N'-trimethylpropanediamide
CID 171448377
[4-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]cyclohexanecarbonyl]oxymethyl 4-methylcyclohexane-1-carboxylate
CID 171448439
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
(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
(6R,8R,8aS)-6-ethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 176586129
(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol
CID 129085380
(2R,4aS,6S,7R,8S,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 124811135
(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 54419182
4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 176842545
(4aR,6S,7R,8S,8aS)-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 102240590
(1R,2R,4R,6R,9R,10R,12R,14R,17R,18R,20R,22R,25R,26R,28R,30R,33R,34R,36R,38R,41R,42R,44R,46R,49R,50R,52R,54R,57R,58R,59R,60R,61R,62R,63R)-3,5,8,11,13,16,19,21,24,27,29,32,35,37,40,43,45,48,51,53,56-henicosaoxapentadecacyclo[50.4.1.14,9.112,17.120,25.128,33.136,41.144,49.02,54.06,10.014,18.022,26.030,34.038,42.046,50]trihexacontane-57,58,59,60,61,62,63-heptol
CID 11366658
(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 91271052

Frequently Asked Questions

What is the IUPAC name of N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide?
The IUPAC name of N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide (CID 171448434) is N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide.
What is the SMILES notation for N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide?
The canonical SMILES for N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide is CCC(=O)N(C)CN(C)C(=O)CC1OC2OC(C3COC(C)O3)C(O)C2O1.
What is the InChIKey of N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide?
The InChIKey is HUKOZUAIUSMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O8/c1-5-11(20)18(3)8-19(4)12(21)6-13-25-16-14(22)15(27-17(16)26-13)10-7-23-9(2)24-10/h9-10,13-17,22H,5-8H2,1-4H3.
What are the key properties of N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide?
N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide has a molecular weight of 388.42 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[2-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]acetyl]-methylamino]methyl]-N-methylpropanamide is sourced from PubChem (CID 171448434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).