2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide

C13H19BrN2O2 — CID 119433897

IUPAC2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-10(13(17)16-9-3-8-15-2)18-12-6-4-11(14)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyKJQDJOKBKDUDRB-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.94
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide

2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide (PubChem CID 119433897) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
PubChem CID119433897
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-10(13(17)16-9-3-8-15-2)18-12-6-4-11(14)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyKJQDJOKBKDUDRB-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433605
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 95091668

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide (CID 119433897) is 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide is CNCCCNC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide?
The InChIKey is KJQDJOKBKDUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-10(13(17)16-9-3-8-15-2)18-12-6-4-11(14)5-7-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide?
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide has a molecular weight of 315.21 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide is sourced from PubChem (CID 119433897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).