2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide

C18H21BrN2O3 — CID 120668226

IUPAC2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCOc1cc(Br)c(CNC(=O)C(N)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H21BrN2O3/c1-11-4-6-12(7-5-11)17(20)18(22)21-10-13-8-15(23-2)16(24-3)9-14(13)19/h4-9,17H,10,20H2,1-3H3,(H,21,22)
InChIKeySAVISIGBBZAHEJ-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.09
Rot. Bonds6

About 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide

2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 120668226) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID120668226
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCOc1cc(Br)c(CNC(=O)C(N)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H21BrN2O3/c1-11-4-6-12(7-5-11)17(20)18(22)21-10-13-8-15(23-2)16(24-3)9-14(13)19/h4-9,17H,10,20H2,1-3H3,(H,21,22)
InChIKeySAVISIGBBZAHEJ-UHFFFAOYSA-N
XLogP3.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666975
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
CID 119316740
2-amino-N-[2-(2-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666713
2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667021
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668407
2-amino-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151129
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120668542
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725
2-amino-2-(4-methylphenyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667659
2-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 120667495
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669936

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide (CID 120668226) is 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide is COc1cc(Br)c(CNC(=O)C(N)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is SAVISIGBBZAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-11-4-6-12(7-5-11)17(20)18(22)21-10-13-8-15(23-2)16(24-3)9-14(13)19/h4-9,17H,10,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 393.28 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120668226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).