2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

C22H22BrNO3 — CID 132668279

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C22H22BrNO3/c1-15-7-10-18(11-8-15)26-13-16(2)24-21(25)14-27-20-12-9-17-5-3-4-6-19(17)22(20)23/h3-12,16H,13-14H2,1-2H3,(H,24,25)
InChIKeyLSTKUMGRURNWPA-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.87
Rot. Bonds7

About 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (PubChem CID 132668279) has the molecular formula C22H22BrNO3 and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
PubChem CID132668279
Molecular FormulaC22H22BrNO3
Molecular Weight428.33 g/mol
Exact Mass427.08
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C22H22BrNO3/c1-15-7-10-18(11-8-15)26-13-16(2)24-21(25)14-27-20-12-9-17-5-3-4-6-19(17)22(20)23/h3-12,16H,13-14H2,1-2H3,(H,24,25)
InChIKeyLSTKUMGRURNWPA-UHFFFAOYSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenoxy)propan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 132652959
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 26020085
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94011986
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340204
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28579033
2-(3-methoxyphenoxy)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132651357
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 99998889
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132653925
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896242

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (CID 132668279) is 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is Cc1ccc(OCC(C)NC(=O)COc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is LSTKUMGRURNWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrNO3/c1-15-7-10-18(11-8-15)26-13-16(2)24-21(25)14-27-20-12-9-17-5-3-4-6-19(17)22(20)23/h3-12,16H,13-14H2,1-2H3,(H,24,25).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 428.33 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 132668279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).