2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide

C16H24Br2N2O — CID 60781725

IUPAC2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(C)c1ccc(Br)cc1Br)C(=O)N(C)C
InChIInChI=1S/C16H24Br2N2O/c1-10(2)8-15(16(21)20(4)5)19-11(3)13-7-6-12(17)9-14(13)18/h6-7,9-11,15,19H,8H2,1-5H3
InChIKeyGSMMPZMJQUKROJ-UHFFFAOYSA-N
MW420.19 g/mol
LogP4.37
Rot. Bonds6

About 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide

2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide (PubChem CID 60781725) has the molecular formula C16H24Br2N2O and a molecular weight of 420.19 g/mol. Its IUPAC name is 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide
PubChem CID60781725
Molecular FormulaC16H24Br2N2O
Molecular Weight420.19 g/mol
Exact Mass418.03
IUPAC Name2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(C)c1ccc(Br)cc1Br)C(=O)N(C)C
InChIInChI=1S/C16H24Br2N2O/c1-10(2)8-15(16(21)20(4)5)19-11(3)13-7-6-12(17)9-14(13)18/h6-7,9-11,15,19H,8H2,1-5H3
InChIKeyGSMMPZMJQUKROJ-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675015
2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675117
2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675021
N,N,4-trimethyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanamide
CID 43675082
N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
CID 60781473
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 66473597
2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675083
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
CID 60781481
2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide (CID 60781725) is 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide is CC(C)CC(NC(C)c1ccc(Br)cc1Br)C(=O)N(C)C.
What is the InChIKey of 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The InChIKey is GSMMPZMJQUKROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2N2O/c1-10(2)8-15(16(21)20(4)5)19-11(3)13-7-6-12(17)9-14(13)18/h6-7,9-11,15,19H,8H2,1-5H3.
What are the key properties of 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide?
2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide has a molecular weight of 420.19 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 60781725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).