(4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide

C23H44N2O6 — CID 10789462

IUPAC(4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
SMILESCCCCC1(CCCC)O[C@@H](C(=O)N[C@H](CO)C(C)C)[C@H](C(=O)N[C@H](CO)C(C)C)O1
InChIInChI=1S/C23H44N2O6/c1-7-9-11-23(12-10-8-2)30-19(21(28)24-17(13-26)15(3)4)20(31-23)22(29)25-18(14-27)16(5)6/h15-20,26-27H,7-14H2,1-6H3,(H,24,28)(H,25,29)/t17-,18-,19-,20-/m1/s1
InChIKeyLHSLMWMFMLAQIM-UAFMIMERSA-N
MW444.61 g/mol
LogP2.11
Rot. Bonds14

About (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide

(4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 10789462) has the molecular formula C23H44N2O6 and a molecular weight of 444.61 g/mol. Its IUPAC name is (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
PubChem CID10789462
Molecular FormulaC23H44N2O6
Molecular Weight444.61 g/mol
Exact Mass444.32
IUPAC Name(4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
SMILESCCCCC1(CCCC)O[C@@H](C(=O)N[C@H](CO)C(C)C)[C@H](C(=O)N[C@H](CO)C(C)C)O1
InChIInChI=1S/C23H44N2O6/c1-7-9-11-23(12-10-8-2)30-19(21(28)24-17(13-26)15(3)4)20(31-23)22(29)25-18(14-27)16(5)6/h15-20,26-27H,7-14H2,1-6H3,(H,24,28)(H,25,29)/t17-,18-,19-,20-/m1/s1
InChIKeyLHSLMWMFMLAQIM-UAFMIMERSA-N
XLogP2.11
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide (CID 10789462) is (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide is CCCCC1(CCCC)O[C@@H](C(=O)N[C@H](CO)C(C)C)[C@H](C(=O)N[C@H](CO)C(C)C)O1.
What is the InChIKey of (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is LHSLMWMFMLAQIM-UAFMIMERSA-N. The full InChI is InChI=1S/C23H44N2O6/c1-7-9-11-23(12-10-8-2)30-19(21(28)24-17(13-26)15(3)4)20(31-23)22(29)25-18(14-27)16(5)6/h15-20,26-27H,7-14H2,1-6H3,(H,24,28)(H,25,29)/t17-,18-,19-,20-/m1/s1.
What are the key properties of (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 444.61 g/mol, XLogP of 2.11, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dibutyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 10789462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).