3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide

C13H19BrN2O2 — CID 112686507

IUPAC3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2/c1-18-9-8-16-13(17)6-7-15-10-11-4-2-3-5-12(11)14/h2-5,15H,6-10H2,1H3,(H,16,17)
InChIKeyMPRJLJWOQZUDKH-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.69
Rot. Bonds8

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

3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 112686507) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID112686507
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2/c1-18-9-8-16-13(17)6-7-15-10-11-4-2-3-5-12(11)14/h2-5,15H,6-10H2,1H3,(H,16,17)
InChIKeyMPRJLJWOQZUDKH-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115972838
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
N-(2-methoxyethyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)propanamide
CID 115614291
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686545
3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 102665027
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
methyl 4-[2-(2-bromophenyl)ethylamino]-4-oxobutanoate
CID 115174690
3-[[2-(2-bromophenyl)acetyl]amino]propanoic acid
CID 115729925

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 112686507) is 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is MPRJLJWOQZUDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-18-9-8-16-13(17)6-7-15-10-11-4-2-3-5-12(11)14/h2-5,15H,6-10H2,1H3,(H,16,17).
What are the key properties of 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide?
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 315.21 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112686507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).