4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide

C24H40N4O2 — CID 88904417

IUPAC4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N/N=C/C2CCC(/C=N/NC(=O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C24H40N4O2/c1-17-3-11-21(12-4-17)23(29)27-25-15-19-7-9-20(10-8-19)16-26-28-24(30)22-13-5-18(2)6-14-22/h15-22H,3-14H2,1-2H3,(H,27,29)(H,28,30)/b25-15+,26-16+
InChIKeyIPXOWSRYRSANCI-RYQLWAFASA-N
MW416.61 g/mol
LogP4.65
Rot. Bonds6

About 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide

4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide (PubChem CID 88904417) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide
PubChem CID88904417
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N/N=C/C2CCC(/C=N/NC(=O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C24H40N4O2/c1-17-3-11-21(12-4-17)23(29)27-25-15-19-7-9-20(10-8-19)16-26-28-24(30)22-13-5-18(2)6-14-22/h15-22H,3-14H2,1-2H3,(H,27,29)(H,28,30)/b25-15+,26-16+
InChIKeyIPXOWSRYRSANCI-RYQLWAFASA-N
XLogP4.65
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.65
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 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide (CID 88904417) is 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide is CC1CCC(C(=O)N/N=C/C2CCC(/C=N/NC(=O)C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide?
The InChIKey is IPXOWSRYRSANCI-RYQLWAFASA-N. The full InChI is InChI=1S/C24H40N4O2/c1-17-3-11-21(12-4-17)23(29)27-25-15-19-7-9-20(10-8-19)16-26-28-24(30)22-13-5-18(2)6-14-22/h15-22H,3-14H2,1-2H3,(H,27,29)(H,28,30)/b25-15+,26-16+.
What are the key properties of 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide?
4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide has a molecular weight of 416.61 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 88904417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).