2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide

C14H21BrN2O2 — CID 105401683

IUPAC2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCc1ccc(C)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-10-4-5-12(8-13(10)15)9-17-11(2)14(18)16-6-7-19-3/h4-5,8,11,17H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyYPWXLFYPRRPAKR-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.00
Rot. Bonds7

About 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide

2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 105401683) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID105401683
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NCc1ccc(C)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-10-4-5-12(8-13(10)15)9-17-11(2)14(18)16-6-7-19-3/h4-5,8,11,17H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyYPWXLFYPRRPAKR-UHFFFAOYSA-N
XLogP2.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.00
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

N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115875961
3-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 103262891
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 107738006
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide
CID 136868891
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 105401683) is 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NCc1ccc(C)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is YPWXLFYPRRPAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10-4-5-12(8-13(10)15)9-17-11(2)14(18)16-6-7-19-3/h4-5,8,11,17H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 329.24 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 105401683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).