N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride

C15H24BrClN2O2 — CID 119586507

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCOc1cccc(Br)c1.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-11(2)8-13(10-17)18-15(19)6-7-20-14-5-3-4-12(16)9-14;/h3-5,9,11,13H,6-8,10,17H2,1-2H3,(H,18,19);1H
InChIKeyLOCBDBCVTSASBF-UHFFFAOYSA-N
MW379.73 g/mol
LogP3.13
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride (PubChem CID 119586507) has the molecular formula C15H24BrClN2O2 and a molecular weight of 379.73 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
PubChem CID119586507
Molecular FormulaC15H24BrClN2O2
Molecular Weight379.73 g/mol
Exact Mass378.07
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCOc1cccc(Br)c1.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-11(2)8-13(10-17)18-15(19)6-7-20-14-5-3-4-12(16)9-14;/h3-5,9,11,13H,6-8,10,17H2,1-2H3,(H,18,19);1H
InChIKeyLOCBDBCVTSASBF-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119666096
(2S)-2-[3-(3-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136254
3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782567
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
2-[3-(3-bromophenoxy)propanoylamino]butanedioic acid
CID 78910189
4-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxybutanamide
CID 120590045
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119587419
1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
CID 54971176

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride (CID 119586507) is N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride is CC(C)CC(CN)NC(=O)CCOc1cccc(Br)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride?
The InChIKey is LOCBDBCVTSASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2.ClH/c1-11(2)8-13(10-17)18-15(19)6-7-20-14-5-3-4-12(16)9-14;/h3-5,9,11,13H,6-8,10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride has a molecular weight of 379.73 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119586507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).