2,3-dihydroxy-N',N'-dioctylbutanediamide

C20H40N2O4 — CID 54049006

IUPAC2,3-dihydroxy-N',N'-dioctylbutanediamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)C(O)C(O)C(N)=O
InChIInChI=1S/C20H40N2O4/c1-3-5-7-9-11-13-15-22(16-14-12-10-8-6-4-2)20(26)18(24)17(23)19(21)25/h17-18,23-24H,3-16H2,1-2H3,(H2,21,25)
InChIKeyLROGLZVEXNZQQH-UHFFFAOYSA-N
MW372.55 g/mol
LogP2.74
Rot. Bonds17

About 2,3-dihydroxy-N',N'-dioctylbutanediamide

2,3-dihydroxy-N',N'-dioctylbutanediamide (PubChem CID 54049006) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2,3-dihydroxy-N',N'-dioctylbutanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-N',N'-dioctylbutanediamide
PubChem CID54049006
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Name2,3-dihydroxy-N',N'-dioctylbutanediamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)C(O)C(O)C(N)=O
InChIInChI=1S/C20H40N2O4/c1-3-5-7-9-11-13-15-22(16-14-12-10-8-6-4-2)20(26)18(24)17(23)19(21)25/h17-18,23-24H,3-16H2,1-2H3,(H2,21,25)
InChIKeyLROGLZVEXNZQQH-UHFFFAOYSA-N
XLogP2.74
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroxy-N(1),N(4)-dipentylsuccinamide
CID 226282
(2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide
CID 13226340
N,N'-Di-n-butyl L-tartaramide
CID 2301708
3,4-Dihydroxy-1-octylpyrrolidine-2,5-dione
CID 4563198
N,N-Dibutyl-2,3-dihydroxybutanediamide
CID 4013242
N,N'-Di-n-hexyl L-tartaramide
CID 11392932
n-Glyceroyl-heptadecaneamine
CID 90685378
(2R,3R)-N,N'-dibutyl-2,3-dihydroxybutanediamide;(2S)-N,N'-dibutyl-2-hydroxybutanediamide
CID 139204839
trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione
CID 162405862
N1,N4-Diheptyl-2-hydroxy-N1,N4-dimethyl-succinamide
CID 608192
N,N'-Diheptyl-2,3-dihydroxy-N,N'-dimethyl-succinamide
CID 612163
(2R,3R)-N,N'-didecyl-2,3-dihydroxybutanediamide
CID 11154598

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N',N'-dioctylbutanediamide?
The IUPAC name of 2,3-dihydroxy-N',N'-dioctylbutanediamide (CID 54049006) is 2,3-dihydroxy-N',N'-dioctylbutanediamide.
What is the SMILES notation for 2,3-dihydroxy-N',N'-dioctylbutanediamide?
The canonical SMILES for 2,3-dihydroxy-N',N'-dioctylbutanediamide is CCCCCCCCN(CCCCCCCC)C(=O)C(O)C(O)C(N)=O.
What is the InChIKey of 2,3-dihydroxy-N',N'-dioctylbutanediamide?
The InChIKey is LROGLZVEXNZQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-3-5-7-9-11-13-15-22(16-14-12-10-8-6-4-2)20(26)18(24)17(23)19(21)25/h17-18,23-24H,3-16H2,1-2H3,(H2,21,25).
What are the key properties of 2,3-dihydroxy-N',N'-dioctylbutanediamide?
2,3-dihydroxy-N',N'-dioctylbutanediamide has a molecular weight of 372.55 g/mol, XLogP of 2.74, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N',N'-dioctylbutanediamide is sourced from PubChem (CID 54049006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).