N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide

C22H19N3O2 — CID 6870909

IUPACN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide
SMILESCCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(O)cc3)ccc21
InChIInChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-18(20)19-13-15(7-12-21(19)25)14-23-24-22(27)16-8-10-17(26)11-9-16/h3-14,26H,2H2,1H3,(H,24,27)/b23-14+
InChIKeyYLEJAJAJEBXBEW-OEAKJJBVSA-N
MW357.41 g/mol
LogP4.28
Rot. Bonds4

About N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide

N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide (PubChem CID 6870909) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide
PubChem CID6870909
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide
SMILESCCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(O)cc3)ccc21
InChIInChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-18(20)19-13-15(7-12-21(19)25)14-23-24-22(27)16-8-10-17(26)11-9-16/h3-14,26H,2H2,1H3,(H,24,27)/b23-14+
InChIKeyYLEJAJAJEBXBEW-OEAKJJBVSA-N
XLogP4.28
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide (CID 6870909) is N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide is CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(O)cc3)ccc21.
What is the InChIKey of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is YLEJAJAJEBXBEW-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-18(20)19-13-15(7-12-21(19)25)14-23-24-22(27)16-8-10-17(26)11-9-16/h3-14,26H,2H2,1H3,(H,24,27)/b23-14+.
What are the key properties of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide?
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6870909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).