N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide

C19H23BrN2O2 — CID 41306516

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
SMILESCN(CCCNC(=O)COc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C19H23BrN2O2/c1-22(14-16-6-3-2-4-7-16)13-5-12-21-19(23)15-24-18-10-8-17(20)9-11-18/h2-4,6-11H,5,12-15H2,1H3,(H,21,23)
InChIKeyIAWNVMFGUVEPKN-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.47
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide

N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide (PubChem CID 41306516) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
PubChem CID41306516
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
SMILESCN(CCCNC(=O)COc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C19H23BrN2O2/c1-22(14-16-6-3-2-4-7-16)13-5-12-21-19(23)15-24-18-10-8-17(20)9-11-18/h2-4,6-11H,5,12-15H2,1H3,(H,21,23)
InChIKeyIAWNVMFGUVEPKN-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.47
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-phenoxypropyl)acetamide
CID 9245994
N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 41306631
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107319029
2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
CID 99818572
2-[benzyl-[2-(4-bromophenoxy)acetyl]amino]-N-butylbutanamide
CID 132720002
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
CID 8802905
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide (CID 41306516) is N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide is CN(CCCNC(=O)COc1ccc(Br)cc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide?
The InChIKey is IAWNVMFGUVEPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-22(14-16-6-3-2-4-7-16)13-5-12-21-19(23)15-24-18-10-8-17(20)9-11-18/h2-4,6-11H,5,12-15H2,1H3,(H,21,23).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide?
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide has a molecular weight of 391.31 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 41306516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).