2-ethyl-N-(6-hydroxyhexyl)benzamide

C15H23NO2 — CID 103918854

IUPAC2-ethyl-N-(6-hydroxyhexyl)benzamide
SMILESCCc1ccccc1C(=O)NCCCCCCO
InChIInChI=1S/C15H23NO2/c1-2-13-9-5-6-10-14(13)15(18)16-11-7-3-4-8-12-17/h5-6,9-10,17H,2-4,7-8,11-12H2,1H3,(H,16,18)
InChIKeySFOABBYOCIFCFE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.53
Rot. Bonds8

About 2-ethyl-N-(6-hydroxyhexyl)benzamide

2-ethyl-N-(6-hydroxyhexyl)benzamide (PubChem CID 103918854) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethyl-N-(6-hydroxyhexyl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-(6-hydroxyhexyl)benzamide
PubChem CID103918854
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethyl-N-(6-hydroxyhexyl)benzamide
SMILESCCc1ccccc1C(=O)NCCCCCCO
InChIInChI=1S/C15H23NO2/c1-2-13-9-5-6-10-14(13)15(18)16-11-7-3-4-8-12-17/h5-6,9-10,17H,2-4,7-8,11-12H2,1H3,(H,16,18)
InChIKeySFOABBYOCIFCFE-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.53
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

N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-chloro-N-undecylbenzamide
CID 3373978

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-hydroxyhexyl)benzamide?
The IUPAC name of 2-ethyl-N-(6-hydroxyhexyl)benzamide (CID 103918854) is 2-ethyl-N-(6-hydroxyhexyl)benzamide.
What is the SMILES notation for 2-ethyl-N-(6-hydroxyhexyl)benzamide?
The canonical SMILES for 2-ethyl-N-(6-hydroxyhexyl)benzamide is CCc1ccccc1C(=O)NCCCCCCO.
What is the InChIKey of 2-ethyl-N-(6-hydroxyhexyl)benzamide?
The InChIKey is SFOABBYOCIFCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-13-9-5-6-10-14(13)15(18)16-11-7-3-4-8-12-17/h5-6,9-10,17H,2-4,7-8,11-12H2,1H3,(H,16,18).
What are the key properties of 2-ethyl-N-(6-hydroxyhexyl)benzamide?
2-ethyl-N-(6-hydroxyhexyl)benzamide has a molecular weight of 249.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-hydroxyhexyl)benzamide is sourced from PubChem (CID 103918854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).