2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide

C17H19BrN2O3 — CID 9353794

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide
SMILESCCCCNC(=O)NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C17H19BrN2O3/c1-2-3-10-19-17(22)20-15(21)11-23-14-9-8-12-6-4-5-7-13(12)16(14)18/h4-9H,2-3,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyYZDKNDAZCDNSBB-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.61
Rot. Bonds6

About 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide (PubChem CID 9353794) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide
PubChem CID9353794
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide
SMILESCCCCNC(=O)NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C17H19BrN2O3/c1-2-3-10-19-17(22)20-15(21)11-23-14-9-8-12-6-4-5-7-13(12)16(14)18/h4-9H,2-3,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyYZDKNDAZCDNSBB-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
CID 17149335
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
4-(1-bromonaphthalen-2-yl)oxy-N-butylbutan-1-amine;oxalic acid
CID 2923347
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
2-[benzyl-[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152636
2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
CID 9138041
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide
CID 56559065
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide (CID 9353794) is 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide is CCCCNC(=O)NC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide?
The InChIKey is YZDKNDAZCDNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-2-3-10-19-17(22)20-15(21)11-23-14-9-8-12-6-4-5-7-13(12)16(14)18/h4-9H,2-3,10-11H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide has a molecular weight of 379.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide is sourced from PubChem (CID 9353794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).