N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide

C16H25BrN2O2 — CID 167779460

IUPACN-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
SMILESCC(C)N(CCN)C(=O)CCCCOc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O2/c1-13(2)19(11-10-18)16(20)5-3-4-12-21-15-8-6-14(17)7-9-15/h6-9,13H,3-5,10-12,18H2,1-2H3
InChIKeyRJEZKIVODZBSCZ-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.19
Rot. Bonds9

About N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide

N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide (PubChem CID 167779460) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
PubChem CID167779460
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC NameN-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
SMILESCC(C)N(CCN)C(=O)CCCCOc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O2/c1-13(2)19(11-10-18)16(20)5-3-4-12-21-15-8-6-14(17)7-9-15/h6-9,13H,3-5,10-12,18H2,1-2H3
InChIKeyRJEZKIVODZBSCZ-UHFFFAOYSA-N
XLogP3.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.19
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-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
CID 119652808
2-[4-(4-bromophenoxy)butanoyl-methylamino]propanoic acid
CID 62626731
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
CID 119336178
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide
CID 120563461
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
CID 119605778
3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine
CID 5262090
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43573753
6-[4-(4-bromophenyl)phenoxy]hexan-2-one
CID 62033076
2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide
CID 54942583
4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
CID 60655942
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
10-O-[2-(4-bromophenoxy)ethyl] 1-O-propyl decanedioate
CID 91740180

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide?
The IUPAC name of N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide (CID 167779460) is N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide?
The canonical SMILES for N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide is CC(C)N(CCN)C(=O)CCCCOc1ccc(Br)cc1.
What is the InChIKey of N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide?
The InChIKey is RJEZKIVODZBSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-13(2)19(11-10-18)16(20)5-3-4-12-21-15-8-6-14(17)7-9-15/h6-9,13H,3-5,10-12,18H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide?
N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide has a molecular weight of 357.29 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide is sourced from PubChem (CID 167779460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).