5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide

C14H21BrN2O2 — CID 113370041

IUPAC5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide
SMILESCOc1c(C)cc(Br)c(C)c1C(N)CCCC(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-8-7-10(15)9(2)13(14(8)19-3)11(16)5-4-6-12(17)18/h7,11H,4-6,16H2,1-3H3,(H2,17,18)
InChIKeyZHVWGKGHEFPVAP-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.73
Rot. Bonds6

About 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide

5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide (PubChem CID 113370041) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide
PubChem CID113370041
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide
SMILESCOc1c(C)cc(Br)c(C)c1C(N)CCCC(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-8-7-10(15)9(2)13(14(8)19-3)11(16)5-4-6-12(17)18/h7,11H,4-6,16H2,1-3H3,(H2,17,18)
InChIKeyZHVWGKGHEFPVAP-UHFFFAOYSA-N
XLogP2.73
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide?
The IUPAC name of 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide (CID 113370041) is 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide.
What is the SMILES notation for 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide?
The canonical SMILES for 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide is COc1c(C)cc(Br)c(C)c1C(N)CCCC(N)=O.
What is the InChIKey of 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide?
The InChIKey is ZHVWGKGHEFPVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-8-7-10(15)9(2)13(14(8)19-3)11(16)5-4-6-12(17)18/h7,11H,4-6,16H2,1-3H3,(H2,17,18).
What are the key properties of 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide?
5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide has a molecular weight of 329.24 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(5-bromo-2-methoxy-3,6-dimethylphenyl)pentanamide is sourced from PubChem (CID 113370041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).