N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide

C14H21BrN2O2 — CID 119584005

IUPACN-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
SMILESCC(CN)N(C)C(=O)CCCOc1ccccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-11(10-16)17(2)14(18)8-5-9-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10,16H2,1-2H3
InChIKeyZHPQYKPQQFYCSA-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.41
Rot. Bonds7

About N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide

N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide (PubChem CID 119584005) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
PubChem CID119584005
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
SMILESCC(CN)N(C)C(=O)CCCOc1ccccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-11(10-16)17(2)14(18)8-5-9-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10,16H2,1-2H3
InChIKeyZHPQYKPQQFYCSA-UHFFFAOYSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584124
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119581560
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119583700
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide (CID 119584005) is N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide is CC(CN)N(C)C(=O)CCCOc1ccccc1Br.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide?
The InChIKey is ZHPQYKPQQFYCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11(10-16)17(2)14(18)8-5-9-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10,16H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide?
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide has a molecular weight of 329.24 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide is sourced from PubChem (CID 119584005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).