2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide

C14H23N3O — CID 63578760

IUPAC2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
SMILESCC(C)CCN(C)C(C(=O)NN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-11(2)9-10-17(3)13(14(18)16-15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3,(H,16,18)
InChIKeyMPEVWNHOBDZYRL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.70
Rot. Bonds6

About 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide

2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide (PubChem CID 63578760) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
PubChem CID63578760
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
SMILESCC(C)CCN(C)C(C(=O)NN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-11(2)9-10-17(3)13(14(18)16-15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3,(H,16,18)
InChIKeyMPEVWNHOBDZYRL-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.70
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-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829
2-[methyl(pentan-2-yl)amino]-2-phenylacetohydrazide
CID 63571994
2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide
CID 63573273
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
2-(dipropylamino)-2-phenylacetohydrazide
CID 63569909
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide
CID 64565017
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-phenylacetohydrazide
CID 63584319
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
CID 63573476
2-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylacetohydrazide
CID 55214441
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetohydrazide
CID 55213465
N-(2-aminoethyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 119384601
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide?
The IUPAC name of 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide (CID 63578760) is 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide.
What is the SMILES notation for 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide?
The canonical SMILES for 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide is CC(C)CCN(C)C(C(=O)NN)c1ccccc1.
What is the InChIKey of 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide?
The InChIKey is MPEVWNHOBDZYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)9-10-17(3)13(14(18)16-15)12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide?
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide has a molecular weight of 249.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide is sourced from PubChem (CID 63578760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).