2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide

C14H23N3O2 — CID 105351790

IUPAC2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
SMILESCOCCCN(C)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C14H23N3O2/c1-17(8-3-9-19-2)11-13-6-4-12(5-7-13)10-14(18)16-15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyFVJQSTVAPHUXBC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.69
Rot. Bonds8

About 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide

2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351790) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351790
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
SMILESCOCCCN(C)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C14H23N3O2/c1-17(8-3-9-19-2)11-13-6-4-12(5-7-13)10-14(18)16-15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyFVJQSTVAPHUXBC-UHFFFAOYSA-N
XLogP0.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119855399
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
2-(4-fluorophenyl)-N-[2-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111652307
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63008493
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
5-[[3-methoxypropyl(methyl)amino]methyl]pyridin-2-amine
CID 63007737
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[4-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351827
2-[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351728

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide (CID 105351790) is 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide is COCCCN(C)Cc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is FVJQSTVAPHUXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(8-3-9-19-2)11-13-6-4-12(5-7-13)10-14(18)16-15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 265.36 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).