(2S)-2-hydroxy-N-octylbutanamide

C12H25NO2 — CID 71450080

IUPAC(2S)-2-hydroxy-N-octylbutanamide
SMILESCCCCCCCCNC(=O)[C@@H](O)CC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-13-12(15)11(14)4-2/h11,14H,3-10H2,1-2H3,(H,13,15)/t11-/m0/s1
InChIKeyBUISNBTVLVFTNO-NSHDSACASA-N
MW215.34 g/mol
LogP2.23
Rot. Bonds9

About (2S)-2-hydroxy-N-octylbutanamide

(2S)-2-hydroxy-N-octylbutanamide (PubChem CID 71450080) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-octylbutanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-octylbutanamide
PubChem CID71450080
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S)-2-hydroxy-N-octylbutanamide
SMILESCCCCCCCCNC(=O)[C@@H](O)CC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-13-12(15)11(14)4-2/h11,14H,3-10H2,1-2H3,(H,13,15)/t11-/m0/s1
InChIKeyBUISNBTVLVFTNO-NSHDSACASA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Lauric acid monoethanolamide
CID 8899
Babassuamide monoethanolamide
CID 559169
Lauric isopropanolamide
CID 9903249
Myristic monoisopropanolamide
CID 111657
Stearic monoisopropanolamide
CID 118247
Caprylic monoisopropanolamide
CID 5463938
Capric monoisopropanolamide
CID 5463939
Capric monoethanolamide
CID 111739
N-(2-hydroxyundecyl)acetamide
CID 44127535
Palmitic monoisopropanolamide
CID 13932024
N-(2-Hydroxyethyl)tridecanamide
CID 14455156
Hexanamide, N-(2-hydroxypropyl)-
CID 90875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-octylbutanamide?
The IUPAC name of (2S)-2-hydroxy-N-octylbutanamide (CID 71450080) is (2S)-2-hydroxy-N-octylbutanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-octylbutanamide?
The canonical SMILES for (2S)-2-hydroxy-N-octylbutanamide is CCCCCCCCNC(=O)[C@@H](O)CC.
What is the InChIKey of (2S)-2-hydroxy-N-octylbutanamide?
The InChIKey is BUISNBTVLVFTNO-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-13-12(15)11(14)4-2/h11,14H,3-10H2,1-2H3,(H,13,15)/t11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-octylbutanamide?
(2S)-2-hydroxy-N-octylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-octylbutanamide is sourced from PubChem (CID 71450080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).