2-[(3-methoxyphenyl)methoxy]pentanehydrazide

C13H20N2O3 — CID 83047753

IUPAC2-[(3-methoxyphenyl)methoxy]pentanehydrazide
SMILESCCCC(OCc1cccc(OC)c1)C(=O)NN
InChIInChI=1S/C13H20N2O3/c1-3-5-12(13(16)15-14)18-9-10-6-4-7-11(8-10)17-2/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16)
InChIKeyWCRKEZUTMFSGBZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.37
Rot. Bonds7

About 2-[(3-methoxyphenyl)methoxy]pentanehydrazide

2-[(3-methoxyphenyl)methoxy]pentanehydrazide (PubChem CID 83047753) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]pentanehydrazide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]pentanehydrazide
PubChem CID83047753
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(3-methoxyphenyl)methoxy]pentanehydrazide
SMILESCCCC(OCc1cccc(OC)c1)C(=O)NN
InChIInChI=1S/C13H20N2O3/c1-3-5-12(13(16)15-14)18-9-10-6-4-7-11(8-10)17-2/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16)
InChIKeyWCRKEZUTMFSGBZ-UHFFFAOYSA-N
XLogP1.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxyphenyl)methoxy]dodecanoic acid
CID 67004671
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
(3-methoxyphenyl)methyl pentanoate
CID 78789338
(2S,3S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-3-methylpentanoic acid
CID 119193748
2-(3-methylsulfonylphenoxy)pentanehydrazide
CID 83048030
2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
CID 83046234
ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate
CID 79040770
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
2-fluoro-2-[(3-methoxyphenyl)methoxy]acetic acid
CID 79356369
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]pentanehydrazide?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]pentanehydrazide (CID 83047753) is 2-[(3-methoxyphenyl)methoxy]pentanehydrazide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]pentanehydrazide?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]pentanehydrazide is CCCC(OCc1cccc(OC)c1)C(=O)NN.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]pentanehydrazide?
The InChIKey is WCRKEZUTMFSGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-5-12(13(16)15-14)18-9-10-6-4-7-11(8-10)17-2/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-methoxyphenyl)methoxy]pentanehydrazide?
2-[(3-methoxyphenyl)methoxy]pentanehydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]pentanehydrazide is sourced from PubChem (CID 83047753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).