2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide

C13H19BrN2O2 — CID 51254044

IUPAC2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-16(10-13(17)15-6-7-18-2)9-11-4-3-5-12(14)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyRRKJFGMHVUHNLO-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.64
Rot. Bonds7

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

2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 51254044) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID51254044
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-16(10-13(17)15-6-7-18-2)9-11-4-3-5-12(14)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyRRKJFGMHVUHNLO-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

2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62465174
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(4-amino-2-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 54989202
2-[(3-carbamothioyl-4-fluorophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107879290
2-[(2-carbamothioyl-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63882099
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 82979091
2-[(6-amino-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62209093
methyl 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]butanoate
CID 8539784

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 51254044) is 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is RRKJFGMHVUHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-16(10-13(17)15-6-7-18-2)9-11-4-3-5-12(14)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide 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 2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 51254044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).