4-(2,5-dimethoxyphenyl)butanehydrazide

C12H18N2O3 — CID 116843562

IUPAC4-(2,5-dimethoxyphenyl)butanehydrazide
SMILESCOc1ccc(OC)c(CCCC(=O)NN)c1
InChIInChI=1S/C12H18N2O3/c1-16-10-6-7-11(17-2)9(8-10)4-3-5-12(15)14-13/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyLJSYMTFICXPYED-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.02
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)butanehydrazide

4-(2,5-dimethoxyphenyl)butanehydrazide (PubChem CID 116843562) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)butanehydrazide.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)butanehydrazide
PubChem CID116843562
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(2,5-dimethoxyphenyl)butanehydrazide
SMILESCOc1ccc(OC)c(CCCC(=O)NN)c1
InChIInChI=1S/C12H18N2O3/c1-16-10-6-7-11(17-2)9(8-10)4-3-5-12(15)14-13/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyLJSYMTFICXPYED-UHFFFAOYSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
4-(3-chloro-4-methoxyphenyl)butanehydrazide
CID 116843564
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
CID 102021855
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)butanehydrazide?
The IUPAC name of 4-(2,5-dimethoxyphenyl)butanehydrazide (CID 116843562) is 4-(2,5-dimethoxyphenyl)butanehydrazide.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)butanehydrazide?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)butanehydrazide is COc1ccc(OC)c(CCCC(=O)NN)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)butanehydrazide?
The InChIKey is LJSYMTFICXPYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-10-6-7-11(17-2)9(8-10)4-3-5-12(15)14-13/h6-8H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,5-dimethoxyphenyl)butanehydrazide?
4-(2,5-dimethoxyphenyl)butanehydrazide has a molecular weight of 238.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)butanehydrazide is sourced from PubChem (CID 116843562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).