4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide

C10H13N3O4 — CID 55214761

IUPAC4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1OCC(=O)NN
InChIInChI=1S/C10H13N3O4/c1-16-8-4-6(10(11)15)2-3-7(8)17-5-9(14)13-12/h2-4H,5,12H2,1H3,(H2,11,15)(H,13,14)
InChIKeyCFTJOKAEEGDSHU-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.84
Rot. Bonds5

About 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide

4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide (PubChem CID 55214761) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
PubChem CID55214761
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1OCC(=O)NN
InChIInChI=1S/C10H13N3O4/c1-16-8-4-6(10(11)15)2-3-7(8)17-5-9(14)13-12/h2-4H,5,12H2,1H3,(H2,11,15)(H,13,14)
InChIKeyCFTJOKAEEGDSHU-UHFFFAOYSA-N
XLogP-0.84
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
3-methoxy-4-(2-oxobutoxy)benzamide
CID 62039571
2-[4-(1-hydroxypropyl)-2-methoxyphenoxy]acetohydrazide
CID 3283507
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
4-butoxy-3-methoxybenzamide
CID 47102628
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 24709160
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide?
The IUPAC name of 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide (CID 55214761) is 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide.
What is the SMILES notation for 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide?
The canonical SMILES for 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide is COc1cc(C(N)=O)ccc1OCC(=O)NN.
What is the InChIKey of 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide?
The InChIKey is CFTJOKAEEGDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-8-4-6(10(11)15)2-3-7(8)17-5-9(14)13-12/h2-4H,5,12H2,1H3,(H2,11,15)(H,13,14).
What are the key properties of 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide?
4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide has a molecular weight of 239.23 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide is sourced from PubChem (CID 55214761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).