N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide

C11H15N3O3 — CID 3768925

IUPACN-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccc(O)cc1)C(=O)NN
InChIInChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17)
InChIKeyCRZZRSWETKBGET-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.57
Rot. Bonds4

About N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide

N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide (PubChem CID 3768925) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide
PubChem CID3768925
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccc(O)cc1)C(=O)NN
InChIInChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17)
InChIKeyCRZZRSWETKBGET-UHFFFAOYSA-N
XLogP-0.57
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide (CID 3768925) is N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide is CC(=O)NC(Cc1ccc(O)cc1)C(=O)NN.
What is the InChIKey of N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide?
The InChIKey is CRZZRSWETKBGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide?
N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide has a molecular weight of 237.26 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 3768925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).