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

C21H23N3O3 — CID 6875721

IUPAC4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3/c25-19-8-4-5-15(13-19)14-22-24-21(27)17-9-11-18(12-10-17)23-20(26)16-6-2-1-3-7-16/h4-5,8-14,16,25H,1-3,6-7H2,(H,23,26)(H,24,27)/b22-14+
InChIKeyBFYMUSALEKIFLX-HYARGMPZSA-N
MW365.43 g/mol
LogP3.67
Rot. Bonds5

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

4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 6875721) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
PubChem CID6875721
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3/c25-19-8-4-5-15(13-19)14-22-24-21(27)17-9-11-18(12-10-17)23-20(26)16-6-2-1-3-7-16/h4-5,8-14,16,25H,1-3,6-7H2,(H,23,26)(H,24,27)/b22-14+
InChIKeyBFYMUSALEKIFLX-HYARGMPZSA-N
XLogP3.67
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.67
H-Bond Donors ≤ 53
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-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide (CID 6875721) is 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(O)c1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is BFYMUSALEKIFLX-HYARGMPZSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19-8-4-5-15(13-19)14-22-24-21(27)17-9-11-18(12-10-17)23-20(26)16-6-2-1-3-7-16/h4-5,8-14,16,25H,1-3,6-7H2,(H,23,26)(H,24,27)/b22-14+.
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6875721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).