N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride

C15H24BrClN2O2 — CID 119666096

IUPACN-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCOc1cccc(Br)c1.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-2-3-6-13(11-17)18-15(19)8-9-20-14-7-4-5-12(16)10-14;/h4-5,7,10,13H,2-3,6,8-9,11,17H2,1H3,(H,18,19);1H
InChIKeyXAJBHAQNADHCMQ-UHFFFAOYSA-N
MW379.73 g/mol
LogP3.27
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride

N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride (PubChem CID 119666096) has the molecular formula C15H24BrClN2O2 and a molecular weight of 379.73 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
PubChem CID119666096
Molecular FormulaC15H24BrClN2O2
Molecular Weight379.73 g/mol
Exact Mass378.07
IUPAC NameN-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCOc1cccc(Br)c1.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-2-3-6-13(11-17)18-15(19)8-9-20-14-7-4-5-12(16)10-14;/h4-5,7,10,13H,2-3,6,8-9,11,17H2,1H3,(H,18,19);1H
InChIKeyXAJBHAQNADHCMQ-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
3-(3-aminophenoxy)-N-octan-4-ylpropanamide
CID 106021745
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552
N-(1-aminohexan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119668575
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
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
N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119668428
(2S)-2-[3-(3-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136254

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride (CID 119666096) is N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride is CCCCC(CN)NC(=O)CCOc1cccc(Br)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride?
The InChIKey is XAJBHAQNADHCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2.ClH/c1-2-3-6-13(11-17)18-15(19)8-9-20-14-7-4-5-12(16)10-14;/h4-5,7,10,13H,2-3,6,8-9,11,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride has a molecular weight of 379.73 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119666096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).