(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide

C12H24N2O4 — CID 2301708

IUPAC(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide
SMILESCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCC
InChIInChI=1S/C12H24N2O4/c1-3-5-7-13-11(17)9(15)10(16)12(18)14-8-6-4-2/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1
InChIKeyXSSKMPGASXYIDJ-NXEZZACHSA-N
MW260.33 g/mol
LogP-0.46
Rot. Bonds9

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

(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide (PubChem CID 2301708) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide
PubChem CID2301708
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide
SMILESCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCC
InChIInChI=1S/C12H24N2O4/c1-3-5-7-13-11(17)9(15)10(16)12(18)14-8-6-4-2/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1
InChIKeyXSSKMPGASXYIDJ-NXEZZACHSA-N
XLogP-0.46
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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?
The IUPAC name of (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide (CID 2301708) is (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide.
What is the SMILES notation for (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide?
The canonical SMILES for (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide is CCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCC.
What is the InChIKey of (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide?
The InChIKey is XSSKMPGASXYIDJ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-5-7-13-11(17)9(15)10(16)12(18)14-8-6-4-2/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide?
(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide has a molecular weight of 260.33 g/mol, XLogP of -0.46, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide is sourced from PubChem (CID 2301708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).