(2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide

C13H20N2O — CID 715990

IUPAC(2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)NN)cc1
InChIInChI=1S/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(16)15-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyJVDPFQDYGHWBBX-JTQLQIEISA-N
MW220.32 g/mol
LogP1.98
Rot. Bonds4

About (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide

(2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide (PubChem CID 715990) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
PubChem CID715990
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)NN)cc1
InChIInChI=1S/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(16)15-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyJVDPFQDYGHWBBX-JTQLQIEISA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide (CID 715990) is (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide.
What is the SMILES notation for (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The canonical SMILES for (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide is CC(C)Cc1ccc([C@H](C)C(=O)NN)cc1.
What is the InChIKey of (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The InChIKey is JVDPFQDYGHWBBX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(16)15-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
(2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide has a molecular weight of 220.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide is sourced from PubChem (CID 715990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).