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

C15H24N2O8 — CID 171448377

IUPACN'-[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
SMILESCC1OCC(C2OC3OC(N(C)C(=O)CC(=O)N(C)C)OC3C2O)O1
InChIInChI=1S/C15H24N2O8/c1-7-21-6-8(22-7)12-11(20)13-14(23-12)25-15(24-13)17(4)10(19)5-9(18)16(2)3/h7-8,11-15,20H,5-6H2,1-4H3
InChIKeyDDRTVYDLGTXNFH-UHFFFAOYSA-N
MW360.36 g/mol
LogP-1.53
Rot. Bonds4

About 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

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 (PubChem CID 171448377) has the molecular formula C15H24N2O8 and a molecular weight of 360.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-[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
PubChem CID171448377
Molecular FormulaC15H24N2O8
Molecular Weight360.36 g/mol
Exact Mass360.15
IUPAC NameN'-[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
SMILESCC1OCC(C2OC3OC(N(C)C(=O)CC(=O)N(C)C)OC3C2O)O1
InChIInChI=1S/C15H24N2O8/c1-7-21-6-8(22-7)12-11(20)13-14(23-12)25-15(24-13)17(4)10(19)5-9(18)16(2)3/h7-8,11-15,20H,5-6H2,1-4H3
InChIKeyDDRTVYDLGTXNFH-UHFFFAOYSA-N
XLogP-1.53
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1OCC(C2OC3OC(N(C)C(=O)CC(=O)N(C)C)OC3C2O)O1.
What is the InChIKey of 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?
The InChIKey is DDRTVYDLGTXNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O8/c1-7-21-6-8(22-7)12-11(20)13-14(23-12)25-15(24-13)17(4)10(19)5-9(18)16(2)3/h7-8,11-15,20H,5-6H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 360.36 g/mol, XLogP of -1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171448377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).