2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide

C13H20N2O2 — CID 116845766

IUPAC2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
SMILESCCc1cc(C(C)C(=O)N(C)N)ccc1OC
InChIInChI=1S/C13H20N2O2/c1-5-10-8-11(6-7-12(10)17-4)9(2)13(16)15(3)14/h6-9H,5,14H2,1-4H3
InChIKeyMJAHZMDQPAYQAD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.69
Rot. Bonds4

About 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide

2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide (PubChem CID 116845766) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
PubChem CID116845766
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
SMILESCCc1cc(C(C)C(=O)N(C)N)ccc1OC
InChIInChI=1S/C13H20N2O2/c1-5-10-8-11(6-7-12(10)17-4)9(2)13(16)15(3)14/h6-9H,5,14H2,1-4H3
InChIKeyMJAHZMDQPAYQAD-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
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

1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]-N-methylacetohydrazide
CID 116845331
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
CID 58973658
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
methyl 4-amino-4-(3-ethyl-4-methoxyphenyl)butanoate
CID 116940192

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide?
The IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide (CID 116845766) is 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide.
What is the SMILES notation for 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide?
The canonical SMILES for 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide is CCc1cc(C(C)C(=O)N(C)N)ccc1OC.
What is the InChIKey of 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide?
The InChIKey is MJAHZMDQPAYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-10-8-11(6-7-12(10)17-4)9(2)13(16)15(3)14/h6-9H,5,14H2,1-4H3.
What are the key properties of 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide?
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide is sourced from PubChem (CID 116845766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).