2-(2,2,2-trihydroxyethyl)hexanediamide

C8H16N2O5 — CID 174870463

IUPAC2-(2,2,2-trihydroxyethyl)hexanediamide
SMILESNC(=O)CCCC(CC(O)(O)O)C(N)=O
InChIInChI=1S/C8H16N2O5/c9-6(11)3-1-2-5(7(10)12)4-8(13,14)15/h5,13-15H,1-4H2,(H2,9,11)(H2,10,12)
InChIKeyKFVOLTJMGCVPEF-UHFFFAOYSA-N
MW220.22 g/mol
LogP-2.24
Rot. Bonds7

About 2-(2,2,2-trihydroxyethyl)hexanediamide

2-(2,2,2-trihydroxyethyl)hexanediamide (PubChem CID 174870463) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-(2,2,2-trihydroxyethyl)hexanediamide.

Molecular Properties

Compound Name2-(2,2,2-trihydroxyethyl)hexanediamide
PubChem CID174870463
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name2-(2,2,2-trihydroxyethyl)hexanediamide
SMILESNC(=O)CCCC(CC(O)(O)O)C(N)=O
InChIInChI=1S/C8H16N2O5/c9-6(11)3-1-2-5(7(10)12)4-8(13,14)15/h5,13-15H,1-4H2,(H2,9,11)(H2,10,12)
InChIKeyKFVOLTJMGCVPEF-UHFFFAOYSA-N
XLogP-2.24
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)hexanediamide
CID 174684338
2-undecylhexanediamide
CID 174629940
5-hydroxy-5-iodopentanamide
CID 131980527
2-propylhexadecanediamide
CID 142717306
6,6,9,9-tetramethyl-2-(2,2,5,5-tetramethylhexyl)decanamide
CID 88970425
2-ethylhexadecanamide;octadecanamide
CID 159948815
2-ethyloctadecanamide;hexadecanamide
CID 174921591
(2S)-2-ethylpentanediamide
CID 146526357
2-(2,2-dimethylpropyl)butanediamide
CID 88719248
2-(2-hydroxyethyl)pentanediamide
CID 23104502
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trihydroxyethyl)hexanediamide?
The IUPAC name of 2-(2,2,2-trihydroxyethyl)hexanediamide (CID 174870463) is 2-(2,2,2-trihydroxyethyl)hexanediamide.
What is the SMILES notation for 2-(2,2,2-trihydroxyethyl)hexanediamide?
The canonical SMILES for 2-(2,2,2-trihydroxyethyl)hexanediamide is NC(=O)CCCC(CC(O)(O)O)C(N)=O.
What is the InChIKey of 2-(2,2,2-trihydroxyethyl)hexanediamide?
The InChIKey is KFVOLTJMGCVPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c9-6(11)3-1-2-5(7(10)12)4-8(13,14)15/h5,13-15H,1-4H2,(H2,9,11)(H2,10,12).
What are the key properties of 2-(2,2,2-trihydroxyethyl)hexanediamide?
2-(2,2,2-trihydroxyethyl)hexanediamide has a molecular weight of 220.22 g/mol, XLogP of -2.24, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trihydroxyethyl)hexanediamide is sourced from PubChem (CID 174870463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).