N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide

C15H23BrN2O3 — CID 119745066

IUPACN-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCCOc1cc(Br)c(NC(=O)C(C)CNC)cc1OCC
InChIInChI=1S/C15H23BrN2O3/c1-5-20-13-7-11(16)12(8-14(13)21-6-2)18-15(19)10(3)9-17-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyZGXMJDCQTUFWDH-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.04
Rot. Bonds8

About N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide

N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 119745066) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID119745066
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC NameN-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCCOc1cc(Br)c(NC(=O)C(C)CNC)cc1OCC
InChIInChI=1S/C15H23BrN2O3/c1-5-20-13-7-11(16)12(8-14(13)21-6-2)18-15(19)10(3)9-17-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyZGXMJDCQTUFWDH-UHFFFAOYSA-N
XLogP3.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-bromo-4,5-diethoxyphenyl)pentanamide;hydrochloride
CID 120561096
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119816573
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide
CID 79203858
N-(2-ethoxy-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 79196186
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697410
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119745056
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119745055
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide (CID 119745066) is N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide is CCOc1cc(Br)c(NC(=O)C(C)CNC)cc1OCC.
What is the InChIKey of N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is ZGXMJDCQTUFWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-5-20-13-7-11(16)12(8-14(13)21-6-2)18-15(19)10(3)9-17-4/h7-8,10,17H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide?
N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 359.26 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119745066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).