N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide

C12H17BrN2O2 — CID 115152018

IUPACN-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCc1cc(Br)ccc1OC
InChIInChI=1S/C12H17BrN2O2/c1-14-8-12(16)15-6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyKFBAKAFFVUKLHU-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.34
Rot. Bonds6

About N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide

N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide (PubChem CID 115152018) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
PubChem CID115152018
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCc1cc(Br)ccc1OC
InChIInChI=1S/C12H17BrN2O2/c1-14-8-12(16)15-6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyKFBAKAFFVUKLHU-UHFFFAOYSA-N
XLogP1.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide 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

N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
methyl 2-[2-(5-bromo-2-methoxyphenyl)ethylamino]-2-oxoacetate
CID 115142532
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
CID 115156776
4-bromo-N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 40659095
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide
CID 115187049
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506812
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
5-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 119234651

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide (CID 115152018) is N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide is CNCC(=O)NCCc1cc(Br)ccc1OC.
What is the InChIKey of N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The InChIKey is KFBAKAFFVUKLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-14-8-12(16)15-6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide has a molecular weight of 301.18 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 115152018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).