N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide

C20H25BrN2O3 — CID 2698320

IUPACN-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C20H25BrN2O3/c1-5-26-18-9-7-15(11-19(18)25-4)12-23(3)13-20(24)22-17-8-6-14(2)10-16(17)21/h6-11H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyNGGOYLRKSQYNJN-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.24
Rot. Bonds8

About N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide

N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 2698320) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID2698320
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C20H25BrN2O3/c1-5-26-18-9-7-15(11-19(18)25-4)12-23(3)13-20(24)22-17-8-6-14(2)10-16(17)21/h6-11H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyNGGOYLRKSQYNJN-UHFFFAOYSA-N
XLogP4.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 8798696
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9058407
N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656790
N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151896
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054511
N-(2-bromo-4-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
CID 31380089
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8798546
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16962761
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide
CID 8694746
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18085894
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide (CID 2698320) is N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2Br)cc1OC.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is NGGOYLRKSQYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-5-26-18-9-7-15(11-19(18)25-4)12-23(3)13-20(24)22-17-8-6-14(2)10-16(17)21/h6-11H,5,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 421.34 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2698320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).