4-pentoxybenzohydrazide

C12H18N2O2 — CID 2727702

IUPAC4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C12H18N2O2/c1-2-3-4-9-16-11-7-5-10(6-8-11)12(15)14-13/h5-8H,2-4,9,13H2,1H3,(H,14,15)
InChIKeyZJYYDMKIBGAUCA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.86
Rot. Bonds6

About 4-pentoxybenzohydrazide

4-pentoxybenzohydrazide (PubChem CID 2727702) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-pentoxybenzohydrazide.

Molecular Properties

Compound Name4-pentoxybenzohydrazide
PubChem CID2727702
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C12H18N2O2/c1-2-3-4-9-16-11-7-5-10(6-8-11)12(15)14-13/h5-8H,2-4,9,13H2,1H3,(H,14,15)
InChIKeyZJYYDMKIBGAUCA-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-butoxyethoxy)benzohydrazide
CID 55214383
4-heptoxy-N-methylbenzamide
CID 3291691
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
3-pentoxybenzohydrazide
CID 54793157
[(4-octoxybenzoyl)amino]thiourea
CID 86177664
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
CID 119524229
4-butoxy-N-hexadecylbenzamide
CID 4936106
3-hexoxybenzohydrazide
CID 54793158
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876

Frequently Asked Questions

What is the IUPAC name of 4-pentoxybenzohydrazide?
The IUPAC name of 4-pentoxybenzohydrazide (CID 2727702) is 4-pentoxybenzohydrazide.
What is the SMILES notation for 4-pentoxybenzohydrazide?
The canonical SMILES for 4-pentoxybenzohydrazide is CCCCCOc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-pentoxybenzohydrazide?
The InChIKey is ZJYYDMKIBGAUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-9-16-11-7-5-10(6-8-11)12(15)14-13/h5-8H,2-4,9,13H2,1H3,(H,14,15).
What are the key properties of 4-pentoxybenzohydrazide?
4-pentoxybenzohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxybenzohydrazide is sourced from PubChem (CID 2727702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).