1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide

C23H25N3O3 — CID 155569635

IUPAC1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
SMILESO=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H25N3O3/c27-20-11-5-6-15-12-13-19(21(15)20)25-26-23(29)17-8-4-7-16(14-17)22(28)24-18-9-2-1-3-10-18/h4-8,11,14,18,27H,1-3,9-10,12-13H2,(H,24,28)(H,26,29)/b25-19+
InChIKeyBLRQIWDMFNAZDJ-NCELDCMTSA-N
MW391.47 g/mol
LogP3.54
Rot. Bonds4

About 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide

1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide (PubChem CID 155569635) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
PubChem CID155569635
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
SMILESO=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H25N3O3/c27-20-11-5-6-15-12-13-19(21(15)20)25-26-23(29)17-8-4-7-16(14-17)22(28)24-18-9-2-1-3-10-18/h4-8,11,14,18,27H,1-3,9-10,12-13H2,(H,24,28)(H,26,29)/b25-19+
InChIKeyBLRQIWDMFNAZDJ-NCELDCMTSA-N
XLogP3.54
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide (CID 155569635) is 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide is O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide?
The InChIKey is BLRQIWDMFNAZDJ-NCELDCMTSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-20-11-5-6-15-12-13-19(21(15)20)25-26-23(29)17-8-4-7-16(14-17)22(28)24-18-9-2-1-3-10-18/h4-8,11,14,18,27H,1-3,9-10,12-13H2,(H,24,28)(H,26,29)/b25-19+.
What are the key properties of 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 155569635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).