2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

C20H24BrNO4 — CID 9263899

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)N[C@H](C)c2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-12-6-7-17(24-3)15(8-12)13(2)22-20(23)10-14-9-18(25-4)19(26-5)11-16(14)21/h6-9,11,13H,10H2,1-5H3,(H,22,23)/t13-/m1/s1
InChIKeyPWAQMKGQKRGTOE-CYBMUJFWSA-N
MW422.32 g/mol
LogP4.20
Rot. Bonds7

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 9263899) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID9263899
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)N[C@H](C)c2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C20H24BrNO4/c1-12-6-7-17(24-3)15(8-12)13(2)22-20(23)10-14-9-18(25-4)19(26-5)11-16(14)21/h6-9,11,13H,10H2,1-5H3,(H,22,23)/t13-/m1/s1
InChIKeyPWAQMKGQKRGTOE-CYBMUJFWSA-N
XLogP4.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262782
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9482211
2-(2,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251795
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 9263899) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1cc(Br)c(CC(=O)N[C@H](C)c2cc(C)ccc2OC)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is PWAQMKGQKRGTOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-12-6-7-17(24-3)15(8-12)13(2)22-20(23)10-14-9-18(25-4)19(26-5)11-16(14)21/h6-9,11,13H,10H2,1-5H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 422.32 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 9263899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).