3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide

C23H21N3O2 — CID 135438871

IUPAC3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide
SMILESC/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(O)cc1
InChIInChI=1S/C23H21N3O2/c1-16(17-10-12-18(27)13-11-17)24-25-23(28)14-15-26-21-8-4-2-6-19(21)20-7-3-5-9-22(20)26/h2-13,27H,14-15H2,1H3,(H,25,28)/b24-16+
InChIKeySBSXUOPOPDODCG-LFVJCYFKSA-N
MW371.44 g/mol
LogP4.43
Rot. Bonds5

About 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide

3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide (PubChem CID 135438871) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide
PubChem CID135438871
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide
SMILESC/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(O)cc1
InChIInChI=1S/C23H21N3O2/c1-16(17-10-12-18(27)13-11-17)24-25-23(28)14-15-26-21-8-4-2-6-19(21)20-7-3-5-9-22(20)26/h2-13,27H,14-15H2,1H3,(H,25,28)/b24-16+
InChIKeySBSXUOPOPDODCG-LFVJCYFKSA-N
XLogP4.43
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide?
The IUPAC name of 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide (CID 135438871) is 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide.
What is the SMILES notation for 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide?
The canonical SMILES for 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide is C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(O)cc1.
What is the InChIKey of 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide?
The InChIKey is SBSXUOPOPDODCG-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16(17-10-12-18(27)13-11-17)24-25-23(28)14-15-26-21-8-4-2-6-19(21)20-7-3-5-9-22(20)26/h2-13,27H,14-15H2,1H3,(H,25,28)/b24-16+.
What are the key properties of 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide?
3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide has a molecular weight of 371.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide is sourced from PubChem (CID 135438871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).