2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide

C17H29N3O — CID 115465400

IUPAC2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
SMILESCC(C)CN(Cc1ccccc1CC(=O)NN)CC(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)10-20(11-14(3)4)12-16-8-6-5-7-15(16)9-17(21)19-18/h5-8,13-14H,9-12,18H2,1-4H3,(H,19,21)
InChIKeyLLUHRINISOFZDD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.33
Rot. Bonds8

About 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide

2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 115465400) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
PubChem CID115465400
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
SMILESCC(C)CN(Cc1ccccc1CC(=O)NN)CC(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)10-20(11-14(3)4)12-16-8-6-5-7-15(16)9-17(21)19-18/h5-8,13-14H,9-12,18H2,1-4H3,(H,19,21)
InChIKeyLLUHRINISOFZDD-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.33
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'}

Analyze 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-(2-methylpropyl)amino]acetamide
CID 115465431
methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate
CID 115462632
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895
2-[2-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]acetohydrazide
CID 115465453
2-[[bis(2-methylpropyl)amino]methyl]benzoic acid
CID 22680071
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide
CID 115465315
2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351915
2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465383
2-[2-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465318
2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
CID 91656478

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide (CID 115465400) is 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide is CC(C)CN(Cc1ccccc1CC(=O)NN)CC(C)C.
What is the InChIKey of 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is LLUHRINISOFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)10-20(11-14(3)4)12-16-8-6-5-7-15(16)9-17(21)19-18/h5-8,13-14H,9-12,18H2,1-4H3,(H,19,21).
What are the key properties of 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide?
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 291.44 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).