2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide

C16H27N3O — CID 105351915

IUPAC2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide
SMILESCC(C)CN(Cc1ccc(CC(=O)NN)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)10-19(13(3)4)11-15-7-5-14(6-8-15)9-16(20)18-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyJWJUYIGDUCGXFG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.09
Rot. Bonds7

About 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide

2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351915) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351915
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide
SMILESCC(C)CN(Cc1ccc(CC(=O)NN)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)10-19(13(3)4)11-15-7-5-14(6-8-15)9-16(20)18-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyJWJUYIGDUCGXFG-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.09
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-[4-[[2-methylpropyl(propan-2-yl)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

methyl 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetate
CID 23540454
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-[[2-cyanopropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351827
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351975
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-(2-methylpropyl)acetamide
CID 43460081
3-[bis(2-methylpropyl)amino]butanehydrazide
CID 63583922
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
2-[[2-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-(2-methylpropyl)amino]acetamide
CID 115465431

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide (CID 105351915) is 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide is CC(C)CN(Cc1ccc(CC(=O)NN)cc1)C(C)C.
What is the InChIKey of 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is JWJUYIGDUCGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)10-19(13(3)4)11-15-7-5-14(6-8-15)9-16(20)18-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 277.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).