2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C22H22BrNO5 — CID 37004225

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc3ccccc3c2Br)cc(OC)c1OC
InChIInChI=1S/C22H22BrNO5/c1-26-18-10-14(11-19(27-2)22(18)28-3)12-24-20(25)13-29-17-9-8-15-6-4-5-7-16(15)21(17)23/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKeyNIIVNHNWBMEAKI-UHFFFAOYSA-N
MW460.32 g/mol
LogP4.32
Rot. Bonds8

About 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 37004225) has the molecular formula C22H22BrNO5 and a molecular weight of 460.32 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID37004225
Molecular FormulaC22H22BrNO5
Molecular Weight460.32 g/mol
Exact Mass459.07
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc3ccccc3c2Br)cc(OC)c1OC
InChIInChI=1S/C22H22BrNO5/c1-26-18-10-14(11-19(27-2)22(18)28-3)12-24-20(25)13-29-17-9-8-15-6-4-5-7-16(15)21(17)23/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKeyNIIVNHNWBMEAKI-UHFFFAOYSA-N
XLogP4.32
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27893473
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365
2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
CID 37252608
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28579033
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763235
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 26020085
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 37004225) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)COc2ccc3ccccc3c2Br)cc(OC)c1OC.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is NIIVNHNWBMEAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrNO5/c1-26-18-10-14(11-19(27-2)22(18)28-3)12-24-20(25)13-29-17-9-8-15-6-4-5-7-16(15)21(17)23/h4-11H,12-13H2,1-3H3,(H,24,25).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 460.32 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 37004225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).