N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide

C14H20N2O — CID 2811461

IUPACN'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide
SMILESCC(C)c1ccc(NNC(=O)C2CCC2)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)11-6-8-13(9-7-11)15-16-14(17)12-4-3-5-12/h6-10,12,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyQLZCGVNMWSCDIC-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.05
Rot. Bonds4

About N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide

N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide (PubChem CID 2811461) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide
PubChem CID2811461
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide
SMILESCC(C)c1ccc(NNC(=O)C2CCC2)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)11-6-8-13(9-7-11)15-16-14(17)12-4-3-5-12/h6-10,12,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyQLZCGVNMWSCDIC-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
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'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide?
The IUPAC name of N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide (CID 2811461) is N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide.
What is the SMILES notation for N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide?
The canonical SMILES for N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide is CC(C)c1ccc(NNC(=O)C2CCC2)cc1.
What is the InChIKey of N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide?
The InChIKey is QLZCGVNMWSCDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)11-6-8-13(9-7-11)15-16-14(17)12-4-3-5-12/h6-10,12,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide?
N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide has a molecular weight of 232.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-ylphenyl)cyclobutanecarbohydrazide is sourced from PubChem (CID 2811461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).