3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide

C15H25N3O — CID 64565017

IUPAC3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide
SMILESCC(C)C(C)N(C)CC(C(=O)NN)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-11(2)12(3)18(4)10-14(15(19)17-16)13-8-6-5-7-9-13/h5-9,11-12,14H,10,16H2,1-4H3,(H,17,19)
InChIKeyARZPSUXRNXAIKC-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.74
Rot. Bonds6

About 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide

3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide (PubChem CID 64565017) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide
PubChem CID64565017
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide
SMILESCC(C)C(C)N(C)CC(C(=O)NN)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-11(2)12(3)18(4)10-14(15(19)17-16)13-8-6-5-7-9-13/h5-9,11-12,14H,10,16H2,1-4H3,(H,17,19)
InChIKeyARZPSUXRNXAIKC-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.74
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

3-[methyl(2-methylbutyl)amino]-2-phenylpropanehydrazide
CID 64567890
3-[ethyl(2-methylpropyl)amino]-2-phenylpropanehydrazide
CID 64565838
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
CID 64538702
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
CID 63578760
3-[3-methoxypropyl(methyl)amino]-2-phenylpropanehydrazide
CID 64566055
3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
CID 64566245
N-cyclopropyl-2-[(3-hydrazinyl-3-oxo-2-phenylpropyl)-methylamino]acetamide
CID 64566681
3-[methyl(oxolan-2-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64566065
6-hydrazinyl-6-oxo-5-phenylhexanoic acid
CID 67909568
2-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829
2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide
CID 26416444
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64567514

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide?
The IUPAC name of 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide (CID 64565017) is 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide.
What is the SMILES notation for 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide?
The canonical SMILES for 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide is CC(C)C(C)N(C)CC(C(=O)NN)c1ccccc1.
What is the InChIKey of 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide?
The InChIKey is ARZPSUXRNXAIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)12(3)18(4)10-14(15(19)17-16)13-8-6-5-7-9-13/h5-9,11-12,14H,10,16H2,1-4H3,(H,17,19).
What are the key properties of 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide?
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide has a molecular weight of 263.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide is sourced from PubChem (CID 64565017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).