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

C19H22BrNO4 — CID 3767206

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(C(NC(C)=O)c2cc(OC)c(OC)cc2Br)cc1
InChIInChI=1S/C19H22BrNO4/c1-5-25-14-8-6-13(7-9-14)19(21-12(2)22)15-10-17(23-3)18(24-4)11-16(15)20/h6-11,19H,5H2,1-4H3,(H,21,22)
InChIKeyJAKUVJGRIOOMFZ-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.09
Rot. Bonds7

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

N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide (PubChem CID 3767206) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide
PubChem CID3767206
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(C(NC(C)=O)c2cc(OC)c(OC)cc2Br)cc1
InChIInChI=1S/C19H22BrNO4/c1-5-25-14-8-6-13(7-9-14)19(21-12(2)22)15-10-17(23-3)18(24-4)11-16(15)20/h6-11,19H,5H2,1-4H3,(H,21,22)
InChIKeyJAKUVJGRIOOMFZ-UHFFFAOYSA-N
XLogP4.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878876
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878875
(3S)-3-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid
CID 78947500
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
[(3-bromo-4-methoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300768
N-[2,2-dibromo-1-(2-bromo-4,5-dimethoxyphenyl)-2-nitroethyl]acetamide
CID 45277833
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide
CID 55659284
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43491687
(3R)-3-acetamido-3-(4-ethoxyphenyl)propanoate
CID 6921315
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide (CID 3767206) is N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide is CCOc1ccc(C(NC(C)=O)c2cc(OC)c(OC)cc2Br)cc1.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide?
The InChIKey is JAKUVJGRIOOMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-5-25-14-8-6-13(7-9-14)19(21-12(2)22)15-10-17(23-3)18(24-4)11-16(15)20/h6-11,19H,5H2,1-4H3,(H,21,22).
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide?
N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide has a molecular weight of 408.29 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3767206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).