N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide

C13H19BrN2O2 — CID 119522531

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
SMILESCC(C)(CN)NC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,9-15)16-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyXHSQNZWMJZUDMR-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.07
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide (PubChem CID 119522531) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
PubChem CID119522531
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
SMILESCC(C)(CN)NC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,9-15)16-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyXHSQNZWMJZUDMR-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
ethyl 2-[3-(3-bromophenoxy)propanoylamino]acetate
CID 54921404
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500929
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide (CID 119522531) is N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide is CC(C)(CN)NC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide?
The InChIKey is XHSQNZWMJZUDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,9-15)16-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide has a molecular weight of 315.21 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide is sourced from PubChem (CID 119522531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).