N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide

C19H22BrNO3 — CID 8963294

IUPACN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2c(C)cccc2C)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-12-6-5-7-13(2)19(12)24-11-18(22)21-14(3)15-8-9-17(23-4)16(20)10-15/h5-10,14H,11H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyGIYZZUGWYNMFAG-CQSZACIVSA-N
MW392.29 g/mol
LogP4.33
Rot. Bonds6

About N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide

N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 8963294) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
PubChem CID8963294
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2c(C)cccc2C)cc1Br
InChIInChI=1S/C19H22BrNO3/c1-12-6-5-7-13(2)19(12)24-11-18(22)21-14(3)15-8-9-17(23-4)16(20)10-15/h5-10,14H,11H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyGIYZZUGWYNMFAG-CQSZACIVSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963319
N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963314
2-(2,6-dimethoxyphenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 46697439
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 84884828
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 84884812
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 8963184
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788
2-(2-bromophenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7466805
N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 8963066

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide (CID 8963294) is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide is COc1ccc([C@@H](C)NC(=O)COc2c(C)cccc2C)cc1Br.
What is the InChIKey of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is GIYZZUGWYNMFAG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-12-6-5-7-13(2)19(12)24-11-18(22)21-14(3)15-8-9-17(23-4)16(20)10-15/h5-10,14H,11H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide?
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 8963294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).