2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide

C14H21BrN2O2 — CID 60641631

IUPAC2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-11(12-4-6-13(15)7-5-12)17-10-14(18)16-8-3-9-19-2/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyXYNHMIBRFOFEEN-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.25
Rot. Bonds8

About 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide

2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 60641631) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide
PubChem CID60641631
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-11(12-4-6-13(15)7-5-12)17-10-14(18)16-8-3-9-19-2/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyXYNHMIBRFOFEEN-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
N-(3-methoxypropyl)-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361482
N-(2-methoxyethyl)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]acetamide
CID 81371226
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 54956748
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid
CID 47006345
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide (CID 60641631) is 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNC(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is XYNHMIBRFOFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11(12-4-6-13(15)7-5-12)17-10-14(18)16-8-3-9-19-2/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide?
2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60641631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).