5-bromo-N-(3-hydroxybutyl)pentanamide

C9H18BrNO2 — CID 107910185

IUPAC5-bromo-N-(3-hydroxybutyl)pentanamide
SMILESCC(O)CCNC(=O)CCCCBr
InChIInChI=1S/C9H18BrNO2/c1-8(12)5-7-11-9(13)4-2-3-6-10/h8,12H,2-7H2,1H3,(H,11,13)
InChIKeyBCLCJASKVHMWKV-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.44
Rot. Bonds7

About 5-bromo-N-(3-hydroxybutyl)pentanamide

5-bromo-N-(3-hydroxybutyl)pentanamide (PubChem CID 107910185) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxybutyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxybutyl)pentanamide
PubChem CID107910185
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name5-bromo-N-(3-hydroxybutyl)pentanamide
SMILESCC(O)CCNC(=O)CCCCBr
InChIInChI=1S/C9H18BrNO2/c1-8(12)5-7-11-9(13)4-2-3-6-10/h8,12H,2-7H2,1H3,(H,11,13)
InChIKeyBCLCJASKVHMWKV-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-methylsulfanylbutyl)pentanamide
CID 107910619
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
5-bromo-N-[(E)-pent-3-enyl]pentanamide
CID 107910578
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxybutyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-hydroxybutyl)pentanamide (CID 107910185) is 5-bromo-N-(3-hydroxybutyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxybutyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-hydroxybutyl)pentanamide is CC(O)CCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(3-hydroxybutyl)pentanamide?
The InChIKey is BCLCJASKVHMWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-8(12)5-7-11-9(13)4-2-3-6-10/h8,12H,2-7H2,1H3,(H,11,13).
What are the key properties of 5-bromo-N-(3-hydroxybutyl)pentanamide?
5-bromo-N-(3-hydroxybutyl)pentanamide has a molecular weight of 252.15 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxybutyl)pentanamide is sourced from PubChem (CID 107910185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).