4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide

C25H32N4O2 — CID 4509760

IUPAC4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O2/c1-3-29(4-2)23-16-10-19(11-17-23)18-26-28-25(31)21-12-14-22(15-13-21)27-24(30)20-8-6-5-7-9-20/h10-18,20H,3-9H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyZVYBGXGSRWYFBT-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.82
Rot. Bonds8

About 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide (PubChem CID 4509760) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
PubChem CID4509760
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O2/c1-3-29(4-2)23-16-10-19(11-17-23)18-26-28-25(31)21-12-14-22(15-13-21)27-24(30)20-8-6-5-7-9-20/h10-18,20H,3-9H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyZVYBGXGSRWYFBT-UHFFFAOYSA-N
XLogP4.82
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.82
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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Related Compounds

4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5432749
4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 1013453
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide (CID 4509760) is 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide is CCN(CC)c1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is ZVYBGXGSRWYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-3-29(4-2)23-16-10-19(11-17-23)18-26-28-25(31)21-12-14-22(15-13-21)27-24(30)20-8-6-5-7-9-20/h10-18,20H,3-9H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 420.56 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 4509760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).