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

C24H48N2O4 — CID 11154598

IUPAC(2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide
SMILESCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCCCCCC
InChIInChI=1S/C24H48N2O4/c1-3-5-7-9-11-13-15-17-19-25-23(29)21(27)22(28)24(30)26-20-18-16-14-12-10-8-6-4-2/h21-22,27-28H,3-20H2,1-2H3,(H,25,29)(H,26,30)/t21-,22-/m1/s1
InChIKeyAMQIDTPKLJDHGP-FGZHOGPDSA-N
MW428.66 g/mol
LogP4.22
Rot. Bonds21

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

(2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide (PubChem CID 11154598) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is (2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide
PubChem CID11154598
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC Name(2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide
SMILESCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCCCCCC
InChIInChI=1S/C24H48N2O4/c1-3-5-7-9-11-13-15-17-19-25-23(29)21(27)22(28)24(30)26-20-18-16-14-12-10-8-6-4-2/h21-22,27-28H,3-20H2,1-2H3,(H,25,29)(H,26,30)/t21-,22-/m1/s1
InChIKeyAMQIDTPKLJDHGP-FGZHOGPDSA-N
XLogP4.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 54.22
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'-didecyl-2,3-dihydroxybutanediamide?
The IUPAC name of (2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide (CID 11154598) is (2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide.
What is the SMILES notation for (2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide?
The canonical SMILES for (2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide is CCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCCCCCCC.
What is the InChIKey of (2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide?
The InChIKey is AMQIDTPKLJDHGP-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H48N2O4/c1-3-5-7-9-11-13-15-17-19-25-23(29)21(27)22(28)24(30)26-20-18-16-14-12-10-8-6-4-2/h21-22,27-28H,3-20H2,1-2H3,(H,25,29)(H,26,30)/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide?
(2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide has a molecular weight of 428.66 g/mol, XLogP of 4.22, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide is sourced from PubChem (CID 11154598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).