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

C19H36N2O6 — CID 10572366

IUPAC(4R,5R)-2,2-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
SMILESCCC1(CC)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/C19H36N2O6/c1-7-19(8-2)26-15(17(24)20-13(9-22)11(3)4)16(27-19)18(25)21-14(10-23)12(5)6/h11-16,22-23H,7-10H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-,15-,16-/m1/s1
InChIKeyGQLNJDZIBBGKOF-KLHDSHLOSA-N
MW388.51 g/mol
LogP0.55
Rot. Bonds10

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

(4R,5R)-2,2-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 10572366) has the molecular formula C19H36N2O6 and a molecular weight of 388.51 g/mol. Its IUPAC name is (4R,5R)-2,2-diethyl-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-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
PubChem CID10572366
Molecular FormulaC19H36N2O6
Molecular Weight388.51 g/mol
Exact Mass388.26
IUPAC Name(4R,5R)-2,2-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide
SMILESCCC1(CC)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/C19H36N2O6/c1-7-19(8-2)26-15(17(24)20-13(9-22)11(3)4)16(27-19)18(25)21-14(10-23)12(5)6/h11-16,22-23H,7-10H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-,15-,16-/m1/s1
InChIKeyGQLNJDZIBBGKOF-KLHDSHLOSA-N
XLogP0.55
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.55
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-diethyl-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-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide (CID 10572366) is (4R,5R)-2,2-diethyl-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-diethyl-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-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide is CCC1(CC)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-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is GQLNJDZIBBGKOF-KLHDSHLOSA-N. The full InChI is InChI=1S/C19H36N2O6/c1-7-19(8-2)26-15(17(24)20-13(9-22)11(3)4)16(27-19)18(25)21-14(10-23)12(5)6/h11-16,22-23H,7-10H2,1-6H3,(H,20,24)(H,21,25)/t13-,14-,15-,16-/m1/s1.
What are the key properties of (4R,5R)-2,2-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-2,2-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 388.51 g/mol, XLogP of 0.55, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-diethyl-4-N,5-N-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 10572366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).