2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

C22H22BrNO4 — CID 26020085

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C22H22BrNO4/c1-14(18-12-16(26-2)9-11-19(18)27-3)24-21(25)13-28-20-10-8-15-6-4-5-7-17(15)22(20)23/h4-12,14H,13H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyKOWPIKAEOGQNAE-AWEZNQCLSA-N
MW444.33 g/mol
LogP4.88
Rot. Bonds7

About 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 26020085) has the molecular formula C22H22BrNO4 and a molecular weight of 444.33 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID26020085
Molecular FormulaC22H22BrNO4
Molecular Weight444.33 g/mol
Exact Mass443.07
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C22H22BrNO4/c1-14(18-12-16(26-2)9-11-19(18)27-3)24-21(25)13-28-20-10-8-15-6-4-5-7-17(15)22(20)23/h4-12,14H,13H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyKOWPIKAEOGQNAE-AWEZNQCLSA-N
XLogP4.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28579033
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide
CID 9477565
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94011986
2-dibenzofuran-2-yloxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229933
2-(2,3-dichlorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9286615
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9477584
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132668279
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 26020085) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)c1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is KOWPIKAEOGQNAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22BrNO4/c1-14(18-12-16(26-2)9-11-19(18)27-3)24-21(25)13-28-20-10-8-15-6-4-5-7-17(15)22(20)23/h4-12,14H,13H2,1-3H3,(H,24,25)/t14-/m0/s1.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 444.33 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 26020085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).