2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C24H26BrNO3 — CID 94011986

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C24H26BrNO3/c1-16(2)14-21(18-8-11-19(28-3)12-9-18)26-23(27)15-29-22-13-10-17-6-4-5-7-20(17)24(22)25/h4-13,16,21H,14-15H2,1-3H3,(H,26,27)/t21-/m0/s1
InChIKeyXUTNPXBXSDIVFX-NRFANRHFSA-N
MW456.38 g/mol
LogP5.89
Rot. Bonds8

About 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 94011986) has the molecular formula C24H26BrNO3 and a molecular weight of 456.38 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID94011986
Molecular FormulaC24H26BrNO3
Molecular Weight456.38 g/mol
Exact Mass455.11
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C24H26BrNO3/c1-16(2)14-21(18-8-11-19(28-3)12-9-18)26-23(27)15-29-22-13-10-17-6-4-5-7-20(17)24(22)25/h4-13,16,21H,14-15H2,1-3H3,(H,26,27)/t21-/m0/s1
InChIKeyXUTNPXBXSDIVFX-NRFANRHFSA-N
XLogP5.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.38
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28635212
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-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28579033
2-(4-bromo-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92679472
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 93487665
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94016682
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132668279
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 26020105
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100719383

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 94011986) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is XUTNPXBXSDIVFX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26BrNO3/c1-16(2)14-21(18-8-11-19(28-3)12-9-18)26-23(27)15-29-22-13-10-17-6-4-5-7-20(17)24(22)25/h4-13,16,21H,14-15H2,1-3H3,(H,26,27)/t21-/m0/s1.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 456.38 g/mol, XLogP of 5.89, 8 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-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 94011986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).