2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide

C15H23BrN2O2 — CID 2299889

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
SMILESCc1cc(OCC(=O)NCCCN(C)C)cc(C)c1Br
InChIInChI=1S/C15H23BrN2O2/c1-11-8-13(9-12(2)15(11)16)20-10-14(19)17-6-5-7-18(3)4/h8-9H,5-7,10H2,1-4H3,(H,17,19)
InChIKeyGVUMMKJZZLDOJB-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.51
Rot. Bonds7

About 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 2299889) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID2299889
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
SMILESCc1cc(OCC(=O)NCCCN(C)C)cc(C)c1Br
InChIInChI=1S/C15H23BrN2O2/c1-11-8-13(9-12(2)15(11)16)20-10-14(19)17-6-5-7-18(3)4/h8-9H,5-7,10H2,1-4H3,(H,17,19)
InChIKeyGVUMMKJZZLDOJB-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide (CID 2299889) is 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide is Cc1cc(OCC(=O)NCCCN(C)C)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is GVUMMKJZZLDOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-11-8-13(9-12(2)15(11)16)20-10-14(19)17-6-5-7-18(3)4/h8-9H,5-7,10H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 343.27 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 2299889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).