4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide

C22H25N3O4 — CID 6875720

IUPAC4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1O
InChIInChI=1S/C22H25N3O4/c1-29-20-12-7-15(13-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h7-14,16,26H,2-6H2,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyKSQUHBQQIOVWTQ-OEAKJJBVSA-N
MW395.46 g/mol
LogP3.68
Rot. Bonds6

About 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 6875720) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID6875720
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1O
InChIInChI=1S/C22H25N3O4/c1-29-20-12-7-15(13-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h7-14,16,26H,2-6H2,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyKSQUHBQQIOVWTQ-OEAKJJBVSA-N
XLogP3.68
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide (CID 6875720) is 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1O.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is KSQUHBQQIOVWTQ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-20-12-7-15(13-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h7-14,16,26H,2-6H2,1H3,(H,24,27)(H,25,28)/b23-14+.
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6875720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).