2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide

C19H23BrN2O — CID 2649393

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
SMILESCN(CC(=O)NCCCc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c1-22(14-17-9-11-18(20)12-10-17)15-19(23)21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,21,23)
InChIKeyLPCQAMDBUSSJCA-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.63
Rot. Bonds8

About 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide (PubChem CID 2649393) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
PubChem CID2649393
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
SMILESCN(CC(=O)NCCCc1ccccc1)Cc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c1-22(14-17-9-11-18(20)12-10-17)15-19(23)21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,21,23)
InChIKeyLPCQAMDBUSSJCA-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide (CID 2649393) is 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide is CN(CC(=O)NCCCc1ccccc1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
The InChIKey is LPCQAMDBUSSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-22(14-17-9-11-18(20)12-10-17)15-19(23)21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,21,23).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide has a molecular weight of 375.31 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2649393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).