5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide

C11H23NO3 — CID 79208953

IUPAC5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
SMILESCOCC(NC(=O)CCCCO)C(C)C
InChIInChI=1S/C11H23NO3/c1-9(2)10(8-15-3)12-11(14)6-4-5-7-13/h9-10,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyFBERPVUGQRZTPI-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.94
Rot. Bonds8

About 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide

5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide (PubChem CID 79208953) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
PubChem CID79208953
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
SMILESCOCC(NC(=O)CCCCO)C(C)C
InChIInChI=1S/C11H23NO3/c1-9(2)10(8-15-3)12-11(14)6-4-5-7-13/h9-10,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyFBERPVUGQRZTPI-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-(1-methoxypropan-2-yl)pentanamide
CID 79199618
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
6-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-6-oxohexanoic acid
CID 65048210
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
N-(1-methoxy-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 112692857
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
CID 56593002
5-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide
CID 112549766
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
10-hydroxy-N-(3-methylpentan-2-yl)decanamide
CID 177174956

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide?
The IUPAC name of 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide (CID 79208953) is 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide is COCC(NC(=O)CCCCO)C(C)C.
What is the InChIKey of 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide?
The InChIKey is FBERPVUGQRZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)10(8-15-3)12-11(14)6-4-5-7-13/h9-10,13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide?
5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide has a molecular weight of 217.31 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 79208953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).