N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide

C18H21BrN2O3 — CID 109031154

IUPACN-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
SMILESCOc1ccc(OCCNCCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O3/c1-23-14-6-8-15(9-7-14)24-13-12-20-11-10-18(22)21-17-5-3-2-4-16(17)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyJCBUJJTVSBAMEG-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.45
Rot. Bonds9

About N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide

N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide (PubChem CID 109031154) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
PubChem CID109031154
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC NameN-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
SMILESCOc1ccc(OCCNCCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O3/c1-23-14-6-8-15(9-7-14)24-13-12-20-11-10-18(22)21-17-5-3-2-4-16(17)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyJCBUJJTVSBAMEG-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031126
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
3-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methylphenyl)propanamide
CID 109031103
3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
CID 61090388
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404
N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022224
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
N-(2-bromophenyl)-N'-[(Z)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6018291
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109021354

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The IUPAC name of N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide (CID 109031154) is N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide is COc1ccc(OCCNCCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The InChIKey is JCBUJJTVSBAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-23-14-6-8-15(9-7-14)24-13-12-20-11-10-18(22)21-17-5-3-2-4-16(17)19/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide?
N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide has a molecular weight of 393.28 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide is sourced from PubChem (CID 109031154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).