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

C16H32N2O4 — CID 11392932

IUPAC(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
SMILESCCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCC
InChIInChI=1S/C16H32N2O4/c1-3-5-7-9-11-17-15(21)13(19)14(20)16(22)18-12-10-8-6-4-2/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22)/t13-,14-/m1/s1
InChIKeyMGOXOOYKQVWSBA-ZIAGYGMSSA-N
MW316.44 g/mol
LogP1.10
Rot. Bonds13

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

(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide (PubChem CID 11392932) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
PubChem CID11392932
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
SMILESCCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCC
InChIInChI=1S/C16H32N2O4/c1-3-5-7-9-11-17-15(21)13(19)14(20)16(22)18-12-10-8-6-4-2/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22)/t13-,14-/m1/s1
InChIKeyMGOXOOYKQVWSBA-ZIAGYGMSSA-N
XLogP1.10
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.10
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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Related Compounds

(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
2,3,4,5-tetrahydroxy-6-(nonylamino)-6-oxohexanoic acid
CID 138523374
(2R,3S,4S)-2,3,4,5-tetrahydroxy-N-octylpentanamide
CID 175982166
(2S,3R,4S,5R)-N-(11-aminoundecyl)-2,3,4,5-tetrahydroxy-N'-pentylhexanediamide
CID 157386575
(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide
CID 139749513
2,3-dihydroxy-N-tetradecylpropanamide
CID 172845175
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
N-octadecyl-2-octylicosanamide
CID 154636535
N,N'-diheptyloxamide
CID 3417538
2-amino-3-hydroxy-N-octylbutanamide
CID 90110768
pentadecylazanium;(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-6-(pentadecylamino)hexanoate
CID 142553465
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide?
The IUPAC name of (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide (CID 11392932) is (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide.
What is the SMILES notation for (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide?
The canonical SMILES for (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide is CCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCC.
What is the InChIKey of (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide?
The InChIKey is MGOXOOYKQVWSBA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-3-5-7-9-11-17-15(21)13(19)14(20)16(22)18-12-10-8-6-4-2/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22)/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide?
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide has a molecular weight of 316.44 g/mol, XLogP of 1.10, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide is sourced from PubChem (CID 11392932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).