2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide

C21H26N2O2 — CID 172907316

IUPAC2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide
SMILESCCCCC(CC)C(=O)NNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-3-5-10-15(4-2)21(24)23-22-20-16-11-6-8-13-18(16)25-19-14-9-7-12-17(19)20/h6-9,11-15,20,22H,3-5,10H2,1-2H3,(H,23,24)
InChIKeyAEFSFPWIPJPERZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.72
Rot. Bonds7

About 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide

2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide (PubChem CID 172907316) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide.

Molecular Properties

Compound Name2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide
PubChem CID172907316
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide
SMILESCCCCC(CC)C(=O)NNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-3-5-10-15(4-2)21(24)23-22-20-16-11-6-8-13-18(16)25-19-14-9-7-12-17(19)20/h6-9,11-15,20,22H,3-5,10H2,1-2H3,(H,23,24)
InChIKeyAEFSFPWIPJPERZ-UHFFFAOYSA-N
XLogP4.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide?
The IUPAC name of 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide (CID 172907316) is 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide.
What is the SMILES notation for 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide?
The canonical SMILES for 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide is CCCCC(CC)C(=O)NNC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide?
The InChIKey is AEFSFPWIPJPERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-5-10-15(4-2)21(24)23-22-20-16-11-6-8-13-18(16)25-19-14-9-7-12-17(19)20/h6-9,11-15,20,22H,3-5,10H2,1-2H3,(H,23,24).
What are the key properties of 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide?
2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide has a molecular weight of 338.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(9H-xanthen-9-yl)hexanehydrazide is sourced from PubChem (CID 172907316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).