2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide

C15H23BrN2O2 — CID 60936876

IUPAC2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H23BrN2O2/c1-5-8-15(2,17)14(19)18(3)10-11-9-12(16)6-7-13(11)20-4/h6-7,9H,5,8,10,17H2,1-4H3
InChIKeyWKZODUPUZHSTKS-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.93
Rot. Bonds6

About 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide (PubChem CID 60936876) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide
PubChem CID60936876
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H23BrN2O2/c1-5-8-15(2,17)14(19)18(3)10-11-9-12(16)6-7-13(11)20-4/h6-7,9H,5,8,10,17H2,1-4H3
InChIKeyWKZODUPUZHSTKS-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682743
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide
CID 103830977
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180644

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide (CID 60936876) is 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide is CCCC(C)(N)C(=O)N(C)Cc1cc(Br)ccc1OC.
What is the InChIKey of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide?
The InChIKey is WKZODUPUZHSTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-5-8-15(2,17)14(19)18(3)10-11-9-12(16)6-7-13(11)20-4/h6-7,9H,5,8,10,17H2,1-4H3.
What are the key properties of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide?
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide has a molecular weight of 343.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide is sourced from PubChem (CID 60936876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).