2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide

C14H24N4O2 — CID 781793

IUPAC2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide
SMILESCC(C)C(=O)NN=C1CCC(=NNC(=O)C(C)C)CC1
InChIInChI=1S/C14H24N4O2/c1-9(2)13(19)17-15-11-5-7-12(8-6-11)16-18-14(20)10(3)4/h9-10H,5-8H2,1-4H3,(H,17,19)(H,18,20)/b15-11-,16-12+
InChIKeyQWVSAFCKKTZOFE-UKVBVZPVSA-N
MW280.37 g/mol
LogP1.82
Rot. Bonds4

About 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide

2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide (PubChem CID 781793) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide
PubChem CID781793
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide
SMILESCC(C)C(=O)NN=C1CCC(=NNC(=O)C(C)C)CC1
InChIInChI=1S/C14H24N4O2/c1-9(2)13(19)17-15-11-5-7-12(8-6-11)16-18-14(20)10(3)4/h9-10H,5-8H2,1-4H3,(H,17,19)(H,18,20)/b15-11-,16-12+
InChIKeyQWVSAFCKKTZOFE-UKVBVZPVSA-N
XLogP1.82
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide?
The IUPAC name of 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide (CID 781793) is 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide.
What is the SMILES notation for 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide?
The canonical SMILES for 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide is CC(C)C(=O)NN=C1CCC(=NNC(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide?
The InChIKey is QWVSAFCKKTZOFE-UKVBVZPVSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)13(19)17-15-11-5-7-12(8-6-11)16-18-14(20)10(3)4/h9-10H,5-8H2,1-4H3,(H,17,19)(H,18,20)/b15-11-,16-12+.
What are the key properties of 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide?
2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methylpropanoylhydrazinylidene)cyclohexylidene]amino]propanamide is sourced from PubChem (CID 781793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).