N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide

C13H19BrN2O2 — CID 115165713

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCc1cc(Br)ccc1OC
InChIInChI=1S/C13H19BrN2O2/c1-13(2,15-3)12(17)16-8-9-7-10(14)5-6-11(9)18-4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyGOZLSAKXFDMTGF-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.07
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 115165713) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
PubChem CID115165713
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NCc1cc(Br)ccc1OC
InChIInChI=1S/C13H19BrN2O2/c1-13(2,15-3)12(17)16-8-9-7-10(14)5-6-11(9)18-4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyGOZLSAKXFDMTGF-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115154641
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide
CID 115172151
2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 119187587
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
N-[(5-bromo-2-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167838
ethyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoacetate
CID 115141965
2-[(5-bromo-2-methoxyphenyl)methylamino]ethylurea
CID 83111448
1-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dimethylguanidine
CID 110930286
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide (CID 115165713) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NCc1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is GOZLSAKXFDMTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,15-3)12(17)16-8-9-7-10(14)5-6-11(9)18-4/h5-7,15H,8H2,1-4H3,(H,16,17).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 315.21 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 115165713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).