2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide

C11H15N3O4 — CID 135121001

IUPAC2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide
SMILESCOc1cc(CO)cc(CNC(=O)C(=O)NN)c1
InChIInChI=1S/C11H15N3O4/c1-18-9-3-7(2-8(4-9)6-15)5-13-10(16)11(17)14-12/h2-4,15H,5-6,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyKSIASELBEHBTFQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.21
Rot. Bonds4

About 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide

2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide (PubChem CID 135121001) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide
PubChem CID135121001
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide
SMILESCOc1cc(CO)cc(CNC(=O)C(=O)NN)c1
InChIInChI=1S/C11H15N3O4/c1-18-9-3-7(2-8(4-9)6-15)5-13-10(16)11(17)14-12/h2-4,15H,5-6,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyKSIASELBEHBTFQ-UHFFFAOYSA-N
XLogP-1.21
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
3-(hydroxymethyl)-5-methoxybenzoic acid
CID 66589238
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide?
The IUPAC name of 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide (CID 135121001) is 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide.
What is the SMILES notation for 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide?
The canonical SMILES for 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide is COc1cc(CO)cc(CNC(=O)C(=O)NN)c1.
What is the InChIKey of 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide?
The InChIKey is KSIASELBEHBTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-18-9-3-7(2-8(4-9)6-15)5-13-10(16)11(17)14-12/h2-4,15H,5-6,12H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide?
2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide has a molecular weight of 253.26 g/mol, XLogP of -1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide is sourced from PubChem (CID 135121001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).