2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide

C12H25NO2 — CID 103861792

IUPAC2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
SMILESCCC(CC)C(=O)NCCCC(C)CO
InChIInChI=1S/C12H25NO2/c1-4-11(5-2)12(15)13-8-6-7-10(3)9-14/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyJUGQCUJIYUPOSD-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds8

About 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide

2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide (PubChem CID 103861792) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
PubChem CID103861792
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
SMILESCCC(CC)C(=O)NCCCC(C)CO
InChIInChI=1S/C12H25NO2/c1-4-11(5-2)12(15)13-8-6-7-10(3)9-14/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyJUGQCUJIYUPOSD-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
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

2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
CID 113340854
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 106161327
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
CID 166773435
2-[(5-hydroxy-4-methylpentyl)amino]butanoic acid
CID 106158405
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
CID 106161336
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 103861524
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide?
The IUPAC name of 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide (CID 103861792) is 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide?
The canonical SMILES for 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide is CCC(CC)C(=O)NCCCC(C)CO.
What is the InChIKey of 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide?
The InChIKey is JUGQCUJIYUPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-11(5-2)12(15)13-8-6-7-10(3)9-14/h10-11,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide?
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide has a molecular weight of 215.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide is sourced from PubChem (CID 103861792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).