N'-acetyl-N'-butan-2-ylacetohydrazide

C8H16N2O2 — CID 170007256

IUPACN'-acetyl-N'-butan-2-ylacetohydrazide
SMILESCCC(C)N(NC(C)=O)C(C)=O
InChIInChI=1S/C8H16N2O2/c1-5-6(2)10(8(4)12)9-7(3)11/h6H,5H2,1-4H3,(H,9,11)
InChIKeyJPDMTPVRTYVWRS-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.68
Rot. Bonds2

About N'-acetyl-N'-butan-2-ylacetohydrazide

N'-acetyl-N'-butan-2-ylacetohydrazide (PubChem CID 170007256) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-acetyl-N'-butan-2-ylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-butan-2-ylacetohydrazide
PubChem CID170007256
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN'-acetyl-N'-butan-2-ylacetohydrazide
SMILESCCC(C)N(NC(C)=O)C(C)=O
InChIInChI=1S/C8H16N2O2/c1-5-6(2)10(8(4)12)9-7(3)11/h6H,5H2,1-4H3,(H,9,11)
InChIKeyJPDMTPVRTYVWRS-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.68
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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Related Compounds

N'-acetyl-N'-propan-2-ylacetohydrazide
CID 90431955
N',N'-diacetylacetohydrazide
CID 13230474
N-butan-2-yl-N-nitrosoacetamide
CID 87066540
N-acetyl-2-methylbutanamide
CID 59565834
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
acetamido(acetyl)sulfamic acid;N,N-diethylethanamine
CID 175118779
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
N-butan-2-yl-N-(2,2-dichloroethenyl)acetamide
CID 12914710
N'-acetyl-N'-butylacetohydrazide
CID 141194485
N-butan-2-yl-N-ethyl-3-oxobutanamide
CID 43274631
[(2S,3R,4R,5R)-2-[acetamido(acetyl)amino]-3,4,5,6-tetraacetyloxyhexyl] acetate
CID 102239227
acetic acid;2-methylbutane
CID 172862544

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-butan-2-ylacetohydrazide?
The IUPAC name of N'-acetyl-N'-butan-2-ylacetohydrazide (CID 170007256) is N'-acetyl-N'-butan-2-ylacetohydrazide.
What is the SMILES notation for N'-acetyl-N'-butan-2-ylacetohydrazide?
The canonical SMILES for N'-acetyl-N'-butan-2-ylacetohydrazide is CCC(C)N(NC(C)=O)C(C)=O.
What is the InChIKey of N'-acetyl-N'-butan-2-ylacetohydrazide?
The InChIKey is JPDMTPVRTYVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-6(2)10(8(4)12)9-7(3)11/h6H,5H2,1-4H3,(H,9,11).
What are the key properties of N'-acetyl-N'-butan-2-ylacetohydrazide?
N'-acetyl-N'-butan-2-ylacetohydrazide has a molecular weight of 172.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-butan-2-ylacetohydrazide is sourced from PubChem (CID 170007256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).