(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide

C24H48N4O7 — CID 139204839

IUPAC(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide
SMILESCCCCNC(=O)C[C@H](O)C(=O)NCCCC.CCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCC
InChIInChI=1S/C12H24N2O4.C12H24N2O3/c1-3-5-7-13-11(17)9(15)10(16)12(18)14-8-6-4-2;1-3-5-7-13-11(16)9-10(15)12(17)14-8-6-4-2/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18);10,15H,3-9H2,1-2H3,(H,13,16)(H,14,17)/t9-,10-;10-/m10/s1
InChIKeyYWJOMEAJFAHZDK-COEXGLNPSA-N
MW504.67 g/mol
LogP0.11
Rot. Bonds18

About (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide

(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide (PubChem CID 139204839) has the molecular formula C24H48N4O7 and a molecular weight of 504.67 g/mol. Its IUPAC name is (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide
PubChem CID139204839
Molecular FormulaC24H48N4O7
Molecular Weight504.67 g/mol
Exact Mass504.35
IUPAC Name(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide
SMILESCCCCNC(=O)C[C@H](O)C(=O)NCCCC.CCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCC
InChIInChI=1S/C12H24N2O4.C12H24N2O3/c1-3-5-7-13-11(17)9(15)10(16)12(18)14-8-6-4-2;1-3-5-7-13-11(16)9-10(15)12(17)14-8-6-4-2/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18);10,15H,3-9H2,1-2H3,(H,13,16)(H,14,17)/t9-,10-;10-/m10/s1
InChIKeyYWJOMEAJFAHZDK-COEXGLNPSA-N
XLogP0.11
TPSA177.09 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 50.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide?
The IUPAC name of (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide (CID 139204839) is (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide.
What is the SMILES notation for (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide?
The canonical SMILES for (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide is CCCCNC(=O)C[C@H](O)C(=O)NCCCC.CCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCC.
What is the InChIKey of (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide?
The InChIKey is YWJOMEAJFAHZDK-COEXGLNPSA-N. The full InChI is InChI=1S/C12H24N2O4.C12H24N2O3/c1-3-5-7-13-11(17)9(15)10(16)12(18)14-8-6-4-2;1-3-5-7-13-11(16)9-10(15)12(17)14-8-6-4-2/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18);10,15H,3-9H2,1-2H3,(H,13,16)(H,14,17)/t9-,10-;10-/m10/s1.
What are the key properties of (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide?
(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide has a molecular weight of 504.67 g/mol, XLogP of 0.11, 18 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide is sourced from PubChem (CID 139204839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).