4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide

C16H25N3O2 — CID 63573866

IUPAC4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
SMILESCCN(CCOc1ccc(C(=O)NN)cc1)C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-2-19(14-5-3-4-6-14)11-12-21-15-9-7-13(8-10-15)16(20)18-17/h7-10,14H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyLHKBZKQBZXZTKO-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.93
Rot. Bonds7

About 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide

4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide (PubChem CID 63573866) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
PubChem CID63573866
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
SMILESCCN(CCOc1ccc(C(=O)NN)cc1)C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-2-19(14-5-3-4-6-14)11-12-21-15-9-7-13(8-10-15)16(20)18-17/h7-10,14H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyLHKBZKQBZXZTKO-UHFFFAOYSA-N
XLogP1.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile
CID 43541120
4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 55215002
4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579475
4-pentoxybenzohydrazide
CID 2727702
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575751
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
CID 63589751
4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid
CID 61441620

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide (CID 63573866) is 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide is CCN(CCOc1ccc(C(=O)NN)cc1)C1CCCC1.
What is the InChIKey of 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide?
The InChIKey is LHKBZKQBZXZTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-19(14-5-3-4-6-14)11-12-21-15-9-7-13(8-10-15)16(20)18-17/h7-10,14H,2-6,11-12,17H2,1H3,(H,18,20).
What are the key properties of 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide?
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide has a molecular weight of 291.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63573866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).