2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide

C9H18BrNO2 — CID 89235308

IUPAC2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
SMILESCCC(O)CCNC(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrNO2/c1-4-7(12)5-6-11-8(13)9(2,3)10/h7,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyLASKVLFTEPWGBC-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.44
Rot. Bonds5

About 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide

2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide (PubChem CID 89235308) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
PubChem CID89235308
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
SMILESCCC(O)CCNC(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrNO2/c1-4-7(12)5-6-11-8(13)9(2,3)10/h7,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyLASKVLFTEPWGBC-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-hydroxypentyl)-2-methylpentanamide;hydrochloride
CID 119766466
2-amino-N-(3-hydroxypentyl)-3,3-dimethylbutanamide
CID 115751041
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
CID 102380329
N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide
CID 151069268
2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
CID 109478693
2-bromo-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 114328988
N-(3-hydroxypentyl)-2-methoxypropanamide
CID 115703372
(2S)-2-amino-N-(3-hydroxypentyl)-3-methylbutanamide
CID 103796232
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
CID 176959577
2-bromo-N-but-3-ynyl-2-methylpropanamide
CID 114328738

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide (CID 89235308) is 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide is CCC(O)CCNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide?
The InChIKey is LASKVLFTEPWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-4-7(12)5-6-11-8(13)9(2,3)10/h7,12H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide?
2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide has a molecular weight of 252.15 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide is sourced from PubChem (CID 89235308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).