3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide

C14H21BrN2O2 — CID 115667940

IUPAC3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-11(12-4-3-5-13(15)10-12)16-7-6-14(18)17-8-9-19-2/h3-5,10-11,16H,6-9H2,1-2H3,(H,17,18)
InChIKeyBWLYUTLIMOVRGW-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.25
Rot. Bonds8

About 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide

3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 115667940) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
PubChem CID115667940
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-11(12-4-3-5-13(15)10-12)16-7-6-14(18)17-8-9-19-2/h3-5,10-11,16H,6-9H2,1-2H3,(H,17,18)
InChIKeyBWLYUTLIMOVRGW-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 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide 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

3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
CID 115605352
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434
N-[(1R)-1-(3-bromophenyl)ethyl]-4-methoxybutan-1-amine
CID 104647522
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide
CID 112700031
1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanoic acid
CID 81382738
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 95607825
2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 60744778
N-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide (CID 115667940) is 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(C)c1cccc(Br)c1.
What is the InChIKey of 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is BWLYUTLIMOVRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11(12-4-3-5-13(15)10-12)16-7-6-14(18)17-8-9-19-2/h3-5,10-11,16H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide 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 3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115667940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).