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

C13H19BrN2O2 — CID 119521510

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
SMILESCC(C)(CN)NC(=O)CCOc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2/c1-13(2,9-15)16-12(17)7-8-18-11-6-4-3-5-10(11)14/h3-6H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyVNLFFWLQQJIYHN-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.07
Rot. Bonds6

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

N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide (PubChem CID 119521510) 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-(2-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
PubChem CID119521510
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
SMILESCC(C)(CN)NC(=O)CCOc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2/c1-13(2,9-15)16-12(17)7-8-18-11-6-4-3-5-10(11)14/h3-6H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyVNLFFWLQQJIYHN-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-(2-bromophenoxy)propanehydrazide
CID 61059905
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 108789472
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
N-(1-amino-2-methylpropan-2-yl)-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119523302
N-(1-amino-2-methylpropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 110834301
N-(1-amino-2-methylpropan-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 119522316
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide
CID 119606391
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide (CID 119521510) is N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide is CC(C)(CN)NC(=O)CCOc1ccccc1Br.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide?
The InChIKey is VNLFFWLQQJIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,9-15)16-12(17)7-8-18-11-6-4-3-5-10(11)14/h3-6H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(2-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-(2-bromophenoxy)propanamide is sourced from PubChem (CID 119521510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).