N'-acetyl-N'-methylbutanehydrazide

C7H14N2O2 — CID 18423127

IUPACN'-acetyl-N'-methylbutanehydrazide
SMILESCCCC(=O)NN(C)C(C)=O
InChIInChI=1S/C7H14N2O2/c1-4-5-7(11)8-9(3)6(2)10/h4-5H2,1-3H3,(H,8,11)
InChIKeyRGLGFGIAQZHSFP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.30
Rot. Bonds2

About N'-acetyl-N'-methylbutanehydrazide

N'-acetyl-N'-methylbutanehydrazide (PubChem CID 18423127) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N'-acetyl-N'-methylbutanehydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-methylbutanehydrazide
PubChem CID18423127
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN'-acetyl-N'-methylbutanehydrazide
SMILESCCCC(=O)NN(C)C(C)=O
InChIInChI=1S/C7H14N2O2/c1-4-5-7(11)8-9(3)6(2)10/h4-5H2,1-3H3,(H,8,11)
InChIKeyRGLGFGIAQZHSFP-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-acetyl-N'-methylbutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-methylbutanehydrazide?
The IUPAC name of N'-acetyl-N'-methylbutanehydrazide (CID 18423127) is N'-acetyl-N'-methylbutanehydrazide.
What is the SMILES notation for N'-acetyl-N'-methylbutanehydrazide?
The canonical SMILES for N'-acetyl-N'-methylbutanehydrazide is CCCC(=O)NN(C)C(C)=O.
What is the InChIKey of N'-acetyl-N'-methylbutanehydrazide?
The InChIKey is RGLGFGIAQZHSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-5-7(11)8-9(3)6(2)10/h4-5H2,1-3H3,(H,8,11).
What are the key properties of N'-acetyl-N'-methylbutanehydrazide?
N'-acetyl-N'-methylbutanehydrazide has a molecular weight of 158.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-methylbutanehydrazide is sourced from PubChem (CID 18423127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).