N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide

C15H21BrN2O2 — CID 119575701

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(20-13-7-5-12(16)6-8-13)14(19)18-15(2,9-17)11-3-4-11/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyRUHCWEMYXYHJIP-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.46
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide (PubChem CID 119575701) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide
PubChem CID119575701
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(20-13-7-5-12(16)6-8-13)14(19)18-15(2,9-17)11-3-4-11/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyRUHCWEMYXYHJIP-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenyl)acetamide;hydrochloride
CID 119574165
N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide
CID 119575434
N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
CID 119612248
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100728263
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119598988
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 119575303
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
CID 7754794

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide (CID 119575701) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide?
The InChIKey is RUHCWEMYXYHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(20-13-7-5-12(16)6-8-13)14(19)18-15(2,9-17)11-3-4-11/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide has a molecular weight of 341.25 g/mol, XLogP of 2.46, 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-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide is sourced from PubChem (CID 119575701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).