N'-butyl-3-phenylpropanehydrazide

C13H20N2O — CID 139575788

IUPACN'-butyl-3-phenylpropanehydrazide
SMILESCCCCNNC(=O)CCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-3-11-14-15-13(16)10-9-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,15,16)
InChIKeyCHTHWQSRSWKEAT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds7

About N'-butyl-3-phenylpropanehydrazide

N'-butyl-3-phenylpropanehydrazide (PubChem CID 139575788) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-butyl-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-butyl-3-phenylpropanehydrazide
PubChem CID139575788
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-butyl-3-phenylpropanehydrazide
SMILESCCCCNNC(=O)CCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-3-11-14-15-13(16)10-9-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,15,16)
InChIKeyCHTHWQSRSWKEAT-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-3-phenylpropanehydrazide?
The IUPAC name of N'-butyl-3-phenylpropanehydrazide (CID 139575788) is N'-butyl-3-phenylpropanehydrazide.
What is the SMILES notation for N'-butyl-3-phenylpropanehydrazide?
The canonical SMILES for N'-butyl-3-phenylpropanehydrazide is CCCCNNC(=O)CCc1ccccc1.
What is the InChIKey of N'-butyl-3-phenylpropanehydrazide?
The InChIKey is CHTHWQSRSWKEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-11-14-15-13(16)10-9-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,15,16).
What are the key properties of N'-butyl-3-phenylpropanehydrazide?
N'-butyl-3-phenylpropanehydrazide has a molecular weight of 220.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-3-phenylpropanehydrazide is sourced from PubChem (CID 139575788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).