N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide

C15H22N2O2 — CID 116820578

IUPACN-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
SMILESCN(N)C(=O)CCCOc1cccc2c1CCCC2
InChIInChI=1S/C15H22N2O2/c1-17(16)15(18)10-5-11-19-14-9-4-7-12-6-2-3-8-13(12)14/h4,7,9H,2-3,5-6,8,10-11,16H2,1H3
InChIKeyYLUXNJOVLDJFEV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide

N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide (PubChem CID 116820578) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide.

Molecular Properties

Compound NameN-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
PubChem CID116820578
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
SMILESCN(N)C(=O)CCCOc1cccc2c1CCCC2
InChIInChI=1S/C15H22N2O2/c1-17(16)15(18)10-5-11-19-14-9-4-7-12-6-2-3-8-13(12)14/h4,7,9H,2-3,5-6,8,10-11,16H2,1H3
InChIKeyYLUXNJOVLDJFEV-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 113101703
4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
CID 65454087
ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112975032
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 82092333
1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
CID 112508761
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide?
The IUPAC name of N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide (CID 116820578) is N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide.
What is the SMILES notation for N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide?
The canonical SMILES for N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide is CN(N)C(=O)CCCOc1cccc2c1CCCC2.
What is the InChIKey of N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide?
The InChIKey is YLUXNJOVLDJFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(16)15(18)10-5-11-19-14-9-4-7-12-6-2-3-8-13(12)14/h4,7,9H,2-3,5-6,8,10-11,16H2,1H3.
What are the key properties of N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide?
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide has a molecular weight of 262.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide is sourced from PubChem (CID 116820578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).