4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide

C13H21N3O — CID 63573634

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)cc1)C(C)C
InChIInChI=1S/C13H21N3O/c1-4-16(10(2)3)9-11-5-7-12(8-6-11)13(17)15-14/h5-8,10H,4,9,14H2,1-3H3,(H,15,17)
InChIKeyAONGFJQTAMPFRB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.52
Rot. Bonds5

About 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide

4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide (PubChem CID 63573634) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
PubChem CID63573634
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)cc1)C(C)C
InChIInChI=1S/C13H21N3O/c1-4-16(10(2)3)9-11-5-7-12(8-6-11)13(17)15-14/h5-8,10H,4,9,14H2,1-3H3,(H,15,17)
InChIKeyAONGFJQTAMPFRB-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide (CID 63573634) is 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide is CCN(Cc1ccc(C(=O)NN)cc1)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide?
The InChIKey is AONGFJQTAMPFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16(10(2)3)9-11-5-7-12(8-6-11)13(17)15-14/h5-8,10H,4,9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide?
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide has a molecular weight of 235.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63573634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).