3-[4-(2-methylpropoxy)phenyl]propanehydrazide

C13H20N2O2 — CID 164513636

IUPAC3-[4-(2-methylpropoxy)phenyl]propanehydrazide
SMILESCC(C)COc1ccc(CCC(=O)NN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-17-12-6-3-11(4-7-12)5-8-13(16)15-14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyVGDBEKZRXGYDPH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.64
Rot. Bonds6

About 3-[4-(2-methylpropoxy)phenyl]propanehydrazide

3-[4-(2-methylpropoxy)phenyl]propanehydrazide (PubChem CID 164513636) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)phenyl]propanehydrazide.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)phenyl]propanehydrazide
PubChem CID164513636
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[4-(2-methylpropoxy)phenyl]propanehydrazide
SMILESCC(C)COc1ccc(CCC(=O)NN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)9-17-12-6-3-11(4-7-12)5-8-13(16)15-14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyVGDBEKZRXGYDPH-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.64
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

4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
4-[4-(3-oxobutyl)phenoxy]butanehydrazide
CID 63577003
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
2-[4-(2-methylpropoxy)phenyl]ethanethiol
CID 95441132
3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
CID 166059452
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17339139
3-[4-(pyridin-3-ylmethoxy)phenyl]propanehydrazide
CID 91686906
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119522663

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)phenyl]propanehydrazide?
The IUPAC name of 3-[4-(2-methylpropoxy)phenyl]propanehydrazide (CID 164513636) is 3-[4-(2-methylpropoxy)phenyl]propanehydrazide.
What is the SMILES notation for 3-[4-(2-methylpropoxy)phenyl]propanehydrazide?
The canonical SMILES for 3-[4-(2-methylpropoxy)phenyl]propanehydrazide is CC(C)COc1ccc(CCC(=O)NN)cc1.
What is the InChIKey of 3-[4-(2-methylpropoxy)phenyl]propanehydrazide?
The InChIKey is VGDBEKZRXGYDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)9-17-12-6-3-11(4-7-12)5-8-13(16)15-14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(2-methylpropoxy)phenyl]propanehydrazide?
3-[4-(2-methylpropoxy)phenyl]propanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)phenyl]propanehydrazide is sourced from PubChem (CID 164513636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).