N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide

C13H19BrN2O2 — CID 78908417

IUPACN-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKeyYBWNDBOPEIAMHQ-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.64
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide

N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide (PubChem CID 78908417) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
PubChem CID78908417
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKeyYBWNDBOPEIAMHQ-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.64
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

N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119801130
N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78908264
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide (CID 78908417) is N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide is COCCNCC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The InChIKey is YBWNDBOPEIAMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide has a molecular weight of 315.21 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide is sourced from PubChem (CID 78908417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).