N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide

C8H17BrN2O2 — CID 151069268

IUPACN-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC(O)CCN
InChIInChI=1S/C8H17BrN2O2/c1-8(2,9)7(13)11-5-6(12)3-4-10/h6,12H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyMHUBOGXGNWOJBW-UHFFFAOYSA-N
MW253.14 g/mol
LogP-0.01
Rot. Bonds5

About N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide

N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide (PubChem CID 151069268) has the molecular formula C8H17BrN2O2 and a molecular weight of 253.14 g/mol. Its IUPAC name is N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide
PubChem CID151069268
Molecular FormulaC8H17BrN2O2
Molecular Weight253.14 g/mol
Exact Mass252.05
IUPAC NameN-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC(O)CCN
InChIInChI=1S/C8H17BrN2O2/c1-8(2,9)7(13)11-5-6(12)3-4-10/h6,12H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyMHUBOGXGNWOJBW-UHFFFAOYSA-N
XLogP-0.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 114328988
2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
CID 89235308
2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide
CID 114328830
2-bromo-2-methyl-N-(2-methylsulfanylpropyl)propanamide
CID 114329138
2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide
CID 115760355
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
N-[2-(2-aminoethyl)pentyl]-2,2-dimethylpropanamide
CID 106116137
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
CID 66170383

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide?
The IUPAC name of N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide (CID 151069268) is N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide?
The canonical SMILES for N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide is CC(C)(Br)C(=O)NCC(O)CCN.
What is the InChIKey of N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide?
The InChIKey is MHUBOGXGNWOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrN2O2/c1-8(2,9)7(13)11-5-6(12)3-4-10/h6,12H,3-5,10H2,1-2H3,(H,11,13).
What are the key properties of N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide?
N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide has a molecular weight of 253.14 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-hydroxybutyl)-2-bromo-2-methylpropanamide is sourced from PubChem (CID 151069268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).