N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide

C17H19BrN2O3 — CID 2980985

IUPACN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C17H19BrN2O3/c1-17(2,3)16(22)20-19-14(21)10-23-13-9-8-11-6-4-5-7-12(11)15(13)18/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUBDRJHGRSGICKV-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.17
Rot. Bonds3

About N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide (PubChem CID 2980985) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide
PubChem CID2980985
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C17H19BrN2O3/c1-17(2,3)16(22)20-19-14(21)10-23-13-9-8-11-6-4-5-7-12(11)15(13)18/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUBDRJHGRSGICKV-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide (CID 2980985) is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide is CC(C)(C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide?
The InChIKey is UBDRJHGRSGICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-17(2,3)16(22)20-19-14(21)10-23-13-9-8-11-6-4-5-7-12(11)15(13)18/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide?
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide has a molecular weight of 379.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 2980985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).