2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide

C15H25N3O — CID 105351648

IUPAC2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
SMILESCCCCN(CC)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C15H25N3O/c1-3-5-10-18(4-2)12-14-8-6-13(7-9-14)11-15(19)17-16/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19)
InChIKeyWKNHGJKMOQPLKG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide

2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351648) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351648
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
SMILESCCCCN(CC)Cc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C15H25N3O/c1-3-5-10-18(4-2)12-14-8-6-13(7-9-14)11-15(19)17-16/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19)
InChIKeyWKNHGJKMOQPLKG-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.84
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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Related Compounds

2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide
CID 105351844
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919
2-[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351728
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351975
2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351790
N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine
CID 105346595
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide (CID 105351648) is 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide is CCCCN(CC)Cc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is WKNHGJKMOQPLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-5-10-18(4-2)12-14-8-6-13(7-9-14)11-15(19)17-16/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 263.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).