2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide

C20H25BrN2O2 — CID 9001281

IUPAC2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C20H25BrN2O2/c1-5-15-8-6-7-13(2)20(15)23-19(24)12-22-14(3)16-9-10-18(25-4)17(21)11-16/h6-11,14,22H,5,12H2,1-4H3,(H,23,24)/t14-/m0/s1
InChIKeyZMYVEHHFXBWWOU-AWEZNQCLSA-N
MW405.34 g/mol
LogP4.62
Rot. Bonds7

About 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 9001281) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID9001281
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C20H25BrN2O2/c1-5-15-8-6-7-13(2)20(15)23-19(24)12-22-14(3)16-9-10-18(25-4)17(21)11-16/h6-11,14,22H,5,12H2,1-4H3,(H,23,24)/t14-/m0/s1
InChIKeyZMYVEHHFXBWWOU-AWEZNQCLSA-N
XLogP4.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide
CID 112797136
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 9001008
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3,5-dimethylphenyl)acetamide
CID 112797123
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9001033
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 112797144
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 84897745
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethyl-6-methylphenyl)oxamide
CID 108510018
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide
CID 112797150
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9001809
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 9001571
(2S,3S)-2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099909
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 8963294

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 9001281) is 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is ZMYVEHHFXBWWOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c1-5-15-8-6-7-13(2)20(15)23-19(24)12-22-14(3)16-9-10-18(25-4)17(21)11-16/h6-11,14,22H,5,12H2,1-4H3,(H,23,24)/t14-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 405.34 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 9001281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).