2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide

C13H18BrNO3 — CID 43083158

IUPAC2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3/c1-10(13(16)15-8-3-9-17-2)18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyAPEWTSVRCIJGSJ-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.37
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide

2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 43083158) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID43083158
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3/c1-10(13(16)15-8-3-9-17-2)18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyAPEWTSVRCIJGSJ-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.37
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

2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279204
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78930257
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43125633
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide (CID 43083158) is 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is APEWTSVRCIJGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-10(13(16)15-8-3-9-17-2)18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide?
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 316.19 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43083158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).