2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide

C18H19BrN2O2 — CID 112774909

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C18H19BrN2O2/c1-12(2)18(3,11-20)21-16(22)10-23-15-9-8-13-6-4-5-7-14(13)17(15)19/h4-9,12H,10H2,1-3H3,(H,21,22)
InChIKeyWVTHPXSELFLHBS-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.04
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide (PubChem CID 112774909) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
PubChem CID112774909
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C18H19BrN2O2/c1-12(2)18(3,11-20)21-16(22)10-23-15-9-8-13-6-4-5-7-14(13)17(15)19/h4-9,12H,10H2,1-3H3,(H,21,22)
InChIKeyWVTHPXSELFLHBS-UHFFFAOYSA-N
XLogP4.04
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763278
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7981594
2-(3-bromophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7818301
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913145
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide (CID 112774909) is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide is CC(C)C(C)(C#N)NC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The InChIKey is WVTHPXSELFLHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12(2)18(3,11-20)21-16(22)10-23-15-9-8-13-6-4-5-7-14(13)17(15)19/h4-9,12H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide has a molecular weight of 375.27 g/mol, XLogP of 4.04, 5 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-(2-cyano-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 112774909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).