(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide

C24H46N4O6 — CID 139749513

IUPAC(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide
SMILESCCCCCCCC(=O)NCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCNC(=O)CCCCCCC
InChIInChI=1S/C24H46N4O6/c1-3-5-7-9-11-13-19(29)25-15-17-27-23(33)21(31)22(32)24(34)28-18-16-26-20(30)14-12-10-8-6-4-2/h21-22,31-32H,3-18H2,1-2H3,(H,25,29)(H,26,30)(H,27,33)(H,28,34)/t21-,22-/m1/s1
InChIKeyJLKPCEIBAJWXLI-FGZHOGPDSA-N
MW486.65 g/mol
LogP0.89
Rot. Bonds21

About (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide

(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide (PubChem CID 139749513) has the molecular formula C24H46N4O6 and a molecular weight of 486.65 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide
PubChem CID139749513
Molecular FormulaC24H46N4O6
Molecular Weight486.65 g/mol
Exact Mass486.34
IUPAC Name(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide
SMILESCCCCCCCC(=O)NCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCNC(=O)CCCCCCC
InChIInChI=1S/C24H46N4O6/c1-3-5-7-9-11-13-19(29)25-15-17-27-23(33)21(31)22(32)24(34)28-18-16-26-20(30)14-12-10-8-6-4-2/h21-22,31-32H,3-18H2,1-2H3,(H,25,29)(H,26,30)(H,27,33)(H,28,34)/t21-,22-/m1/s1
InChIKeyJLKPCEIBAJWXLI-FGZHOGPDSA-N
XLogP0.89
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 50.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide with MolForge

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Related Compounds

N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
CID 57405062
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide
CID 57405064
N-[2-(sulfanylamino)ethyl]heptanamide
CID 123216735
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-hexadecylhexanamide
CID 4953738
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide (CID 139749513) is (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide is CCCCCCCC(=O)NCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCNC(=O)CCCCCCC.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide?
The InChIKey is JLKPCEIBAJWXLI-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H46N4O6/c1-3-5-7-9-11-13-19(29)25-15-17-27-23(33)21(31)22(32)24(34)28-18-16-26-20(30)14-12-10-8-6-4-2/h21-22,31-32H,3-18H2,1-2H3,(H,25,29)(H,26,30)(H,27,33)(H,28,34)/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide?
(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide has a molecular weight of 486.65 g/mol, XLogP of 0.89, 21 rotatable bonds, 6 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[2-(octanoylamino)ethyl]butanediamide is sourced from PubChem (CID 139749513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).