N'-acetyl-N-propylbutanehydrazide

C9H18N2O2 — CID 54297317

IUPACN'-acetyl-N-propylbutanehydrazide
SMILESCCCC(=O)N(CCC)NC(C)=O
InChIInChI=1S/C9H18N2O2/c1-4-6-9(13)11(7-5-2)10-8(3)12/h4-7H2,1-3H3,(H,10,12)
InChIKeyUVGVBYQKTKBWPG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.08
Rot. Bonds4

About N'-acetyl-N-propylbutanehydrazide

N'-acetyl-N-propylbutanehydrazide (PubChem CID 54297317) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N'-acetyl-N-propylbutanehydrazide.

Molecular Properties

Compound NameN'-acetyl-N-propylbutanehydrazide
PubChem CID54297317
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN'-acetyl-N-propylbutanehydrazide
SMILESCCCC(=O)N(CCC)NC(C)=O
InChIInChI=1S/C9H18N2O2/c1-4-6-9(13)11(7-5-2)10-8(3)12/h4-7H2,1-3H3,(H,10,12)
InChIKeyUVGVBYQKTKBWPG-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N-propylbutanehydrazide?
The IUPAC name of N'-acetyl-N-propylbutanehydrazide (CID 54297317) is N'-acetyl-N-propylbutanehydrazide.
What is the SMILES notation for N'-acetyl-N-propylbutanehydrazide?
The canonical SMILES for N'-acetyl-N-propylbutanehydrazide is CCCC(=O)N(CCC)NC(C)=O.
What is the InChIKey of N'-acetyl-N-propylbutanehydrazide?
The InChIKey is UVGVBYQKTKBWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-6-9(13)11(7-5-2)10-8(3)12/h4-7H2,1-3H3,(H,10,12).
What are the key properties of N'-acetyl-N-propylbutanehydrazide?
N'-acetyl-N-propylbutanehydrazide has a molecular weight of 186.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N-propylbutanehydrazide is sourced from PubChem (CID 54297317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).