N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide

C19H22BrNO4 — CID 31145252

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(C)Cc2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22BrNO4/c1-21(12-13-5-7-15(20)8-6-13)18(22)11-14-9-16(23-2)19(25-4)17(10-14)24-3/h5-10H,11-12H2,1-4H3
InChIKeySYBLYBOKWJDELQ-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.68
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 31145252) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID31145252
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(C)Cc2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22BrNO4/c1-21(12-13-5-7-15(20)8-6-13)18(22)11-14-9-16(23-2)19(25-4)17(10-14)24-3/h5-10H,11-12H2,1-4H3
InChIKeySYBLYBOKWJDELQ-UHFFFAOYSA-N
XLogP3.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 113095853
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100796604
N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17461704
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide (CID 31145252) is N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N(C)Cc2ccc(Br)cc2)cc(OC)c1OC.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is SYBLYBOKWJDELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-21(12-13-5-7-15(20)8-6-13)18(22)11-14-9-16(23-2)19(25-4)17(10-14)24-3/h5-10H,11-12H2,1-4H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 408.29 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 31145252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).