(2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide

C11H23NO3 — CID 138115448

IUPAC(2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide
SMILESCCCCCCC[C@H](O)C(=O)NCCO
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-6-7-10(14)11(15)12-8-9-13/h10,13-14H,2-9H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyBVKORWAYWJJXBG-JTQLQIEISA-N
MW217.31 g/mol
LogP0.82
Rot. Bonds9

About (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide

(2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide (PubChem CID 138115448) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide
PubChem CID138115448
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide
SMILESCCCCCCC[C@H](O)C(=O)NCCO
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-6-7-10(14)11(15)12-8-9-13/h10,13-14H,2-9H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyBVKORWAYWJJXBG-JTQLQIEISA-N
XLogP0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ceramide NG
CID 5283573
Lauric acid monoethanolamide
CID 8899
Babassuamide monoethanolamide
CID 559169
Hydroxypalmitoyl Sphinganine
CID 9959390
Lauric isopropanolamide
CID 9903249
N-(hexadecanoyl)-sphinganine
CID 5283572
C20 Dihydroceramide
CID 5283574
N-(docosanoyl)-sphinganine
CID 5283575
Hydroxystearamide monoethanolamide
CID 97916
Myristic monoisopropanolamide
CID 111657
Stearic monoisopropanolamide
CID 118247
Azelamide monoethanolamine
CID 57483082

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide?
The IUPAC name of (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide (CID 138115448) is (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide?
The canonical SMILES for (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide is CCCCCCC[C@H](O)C(=O)NCCO.
What is the InChIKey of (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide?
The InChIKey is BVKORWAYWJJXBG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-3-4-5-6-7-10(14)11(15)12-8-9-13/h10,13-14H,2-9H2,1H3,(H,12,15)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide?
(2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide has a molecular weight of 217.31 g/mol, XLogP of 0.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-(2-hydroxyethyl)nonanamide is sourced from PubChem (CID 138115448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).