N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide

C16H22N2O — CID 5454795

IUPACN-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O/c1-13(12-14-8-4-2-5-9-14)17-18-16(19)15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H,18,19)/b17-13+
InChIKeyNYLBFWXVETVANS-GHRIWEEISA-N
MW258.37 g/mol
LogP3.30
Rot. Bonds4

About N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide

N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide (PubChem CID 5454795) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide
PubChem CID5454795
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide
SMILESC/C(Cc1ccccc1)=N\NC(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O/c1-13(12-14-8-4-2-5-9-14)17-18-16(19)15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H,18,19)/b17-13+
InChIKeyNYLBFWXVETVANS-GHRIWEEISA-N
XLogP3.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 2727495
3-Phenyl-5-pyrazolone
CID 78577
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N-(1,3-diphenylpropan-2-ylideneamino)cyclopropanecarboxamide
CID 4175602
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-(3-cyclohexen-1-ylmethylene)-3-phenylpropanohydrazide
CID 5722040
N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
CID 6384615
2,2-dimethyl-N'-(4-phenylcyclohexylidene)propanehydrazide
CID 24819039
4,6-diphenylpyridazin-3(2H)-one
CID 5060259

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide (CID 5454795) is N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide is C/C(Cc1ccccc1)=N\NC(=O)C1CCCCC1.
What is the InChIKey of N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide?
The InChIKey is NYLBFWXVETVANS-GHRIWEEISA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(12-14-8-4-2-5-9-14)17-18-16(19)15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H,18,19)/b17-13+.
What are the key properties of N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide?
N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylpropan-2-ylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 5454795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).