N'-butyl-4-methoxybenzohydrazide

C12H18N2O2 — CID 71306436

IUPACN'-butyl-4-methoxybenzohydrazide
SMILESCCCCNNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyRFMNSSZOADXOBU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.73
Rot. Bonds6

About N'-butyl-4-methoxybenzohydrazide

N'-butyl-4-methoxybenzohydrazide (PubChem CID 71306436) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-butyl-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-butyl-4-methoxybenzohydrazide
PubChem CID71306436
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN'-butyl-4-methoxybenzohydrazide
SMILESCCCCNNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyRFMNSSZOADXOBU-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybenzohydrazide
CID 76792
4-Methoxybenzamide
CID 76959
o-Anisohydrazide
CID 24051
p-Ethoxybenzamide
CID 108776
N-Hydroxy-4-methoxybenzamide
CID 221131
4-tert-butyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 774424
N'1,N'6-bis(4-methoxybenzoyl)hexanedihydrazide
CID 3115394
Benzoic acid, 4-methoxy-, 2-phenylhydrazide
CID 27022
1-Benzoyl-2-(3-methoxybenzoyl)hydrazine
CID 252264
m-Anisohydrazide
CID 79848
N-[N'-(4-Butoxy-benzoyl)-hydrazinocarbothioyl]-propionamide
CID 1728273
N'-[(E)-(4-methoxyphenyl)methylidene]benzohydrazide
CID 6861535

Frequently Asked Questions

What is the IUPAC name of N'-butyl-4-methoxybenzohydrazide?
The IUPAC name of N'-butyl-4-methoxybenzohydrazide (CID 71306436) is N'-butyl-4-methoxybenzohydrazide.
What is the SMILES notation for N'-butyl-4-methoxybenzohydrazide?
The canonical SMILES for N'-butyl-4-methoxybenzohydrazide is CCCCNNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N'-butyl-4-methoxybenzohydrazide?
The InChIKey is RFMNSSZOADXOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of N'-butyl-4-methoxybenzohydrazide?
N'-butyl-4-methoxybenzohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-methoxybenzohydrazide is sourced from PubChem (CID 71306436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).