3-methyl-2-(4-propanoylphenoxy)butanehydrazide

C14H20N2O3 — CID 63576010

IUPAC3-methyl-2-(4-propanoylphenoxy)butanehydrazide
SMILESCCC(=O)c1ccc(OC(C(=O)NN)C(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-4-12(17)10-5-7-11(8-6-10)19-13(9(2)3)14(18)16-15/h5-9,13H,4,15H2,1-3H3,(H,16,18)
InChIKeyDKIDJNIDKQYFHK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds6

About 3-methyl-2-(4-propanoylphenoxy)butanehydrazide

3-methyl-2-(4-propanoylphenoxy)butanehydrazide (PubChem CID 63576010) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-2-(4-propanoylphenoxy)butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-(4-propanoylphenoxy)butanehydrazide
PubChem CID63576010
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methyl-2-(4-propanoylphenoxy)butanehydrazide
SMILESCCC(=O)c1ccc(OC(C(=O)NN)C(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-4-12(17)10-5-7-11(8-6-10)19-13(9(2)3)14(18)16-15/h5-9,13H,4,15H2,1-3H3,(H,16,18)
InChIKeyDKIDJNIDKQYFHK-UHFFFAOYSA-N
XLogP1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.67
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

3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
CID 63575995
2-(3-ethoxyphenoxy)-3-methylbutanehydrazide
CID 63569478
3-methyl-2-(3-methylphenoxy)butanehydrazide
CID 63575822
(4-propanoylphenyl) 2-methylpropanoate
CID 19170731
methyl 2-methyl-3-(4-propanoylphenoxy)propanoate
CID 43537743
N,N-dimethyl-2-(4-propanoylphenoxy)propanamide
CID 43085562
2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
CID 63575837
3-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570310
2-fluoro-2-(4-propanoylphenoxy)acetic acid
CID 79357393
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
3-methyl-2-(3-methyl-4-nitrophenoxy)butanehydrazide
CID 63574587
(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
CID 8604783

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-propanoylphenoxy)butanehydrazide?
The IUPAC name of 3-methyl-2-(4-propanoylphenoxy)butanehydrazide (CID 63576010) is 3-methyl-2-(4-propanoylphenoxy)butanehydrazide.
What is the SMILES notation for 3-methyl-2-(4-propanoylphenoxy)butanehydrazide?
The canonical SMILES for 3-methyl-2-(4-propanoylphenoxy)butanehydrazide is CCC(=O)c1ccc(OC(C(=O)NN)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-(4-propanoylphenoxy)butanehydrazide?
The InChIKey is DKIDJNIDKQYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-12(17)10-5-7-11(8-6-10)19-13(9(2)3)14(18)16-15/h5-9,13H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-2-(4-propanoylphenoxy)butanehydrazide?
3-methyl-2-(4-propanoylphenoxy)butanehydrazide has a molecular weight of 264.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-propanoylphenoxy)butanehydrazide is sourced from PubChem (CID 63576010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).