3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide

C16H26N2O2 — CID 63575995

IUPAC3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
SMILESCCC(C)(C)c1ccc(OC(C(=O)NN)C(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-16(4,5)12-7-9-13(10-8-12)20-14(11(2)3)15(19)18-17/h7-11,14H,6,17H2,1-5H3,(H,18,19)
InChIKeyQVBADPBWIIAFDI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.77
Rot. Bonds6

About 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide

3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide (PubChem CID 63575995) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
PubChem CID63575995
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
SMILESCCC(C)(C)c1ccc(OC(C(=O)NN)C(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-16(4,5)12-7-9-13(10-8-12)20-14(11(2)3)15(19)18-17/h7-11,14H,6,17H2,1-5H3,(H,18,19)
InChIKeyQVBADPBWIIAFDI-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propanoylphenoxy)butanehydrazide
CID 63576010
2-(3-ethoxyphenoxy)-3-methylbutanehydrazide
CID 63569478
4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
CID 62214691
3-methyl-2-(3-methylphenoxy)butanehydrazide
CID 63575822
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
3-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570310
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
CID 83047631
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
CID 158994420
hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate
CID 66336904
tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate
CID 71192096

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide?
The IUPAC name of 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide (CID 63575995) is 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide.
What is the SMILES notation for 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide?
The canonical SMILES for 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide is CCC(C)(C)c1ccc(OC(C(=O)NN)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide?
The InChIKey is QVBADPBWIIAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-16(4,5)12-7-9-13(10-8-12)20-14(11(2)3)15(19)18-17/h7-11,14H,6,17H2,1-5H3,(H,18,19).
What are the key properties of 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide?
3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide has a molecular weight of 278.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide is sourced from PubChem (CID 63575995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).