(2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide

C12H24N2O6 — CID 15531607

IUPAC(2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide
SMILESCOCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCOC
InChIInChI=1S/C12H24N2O6/c1-19-7-3-5-13-11(17)9(15)10(16)12(18)14-6-4-8-20-2/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1
InChIKeyFXPJKNNVQHSTQI-NXEZZACHSA-N
MW292.33 g/mol
LogP-1.99
Rot. Bonds11

About (2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide

(2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide (PubChem CID 15531607) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide
PubChem CID15531607
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name(2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide
SMILESCOCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCOC
InChIInChI=1S/C12H24N2O6/c1-19-7-3-5-13-11(17)9(15)10(16)12(18)14-6-4-8-20-2/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1
InChIKeyFXPJKNNVQHSTQI-NXEZZACHSA-N
XLogP-1.99
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide (CID 15531607) is (2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide is COCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCOC.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide?
The InChIKey is FXPJKNNVQHSTQI-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-19-7-3-5-13-11(17)9(15)10(16)12(18)14-6-4-8-20-2/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)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide?
(2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide has a molecular weight of 292.33 g/mol, XLogP of -1.99, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N,N'-bis(3-methoxypropyl)butanediamide is sourced from PubChem (CID 15531607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).