N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide

C12H15N3O5 — CID 3117716

IUPACN-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(C(=O)NNC(=O)C(=O)NCCO)cc1
InChIInChI=1S/C12H15N3O5/c1-20-9-4-2-8(3-5-9)10(17)14-15-12(19)11(18)13-6-7-16/h2-5,16H,6-7H2,1H3,(H,13,18)(H,14,17)(H,15,19)
InChIKeyQTKSYPLYNKQNOG-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.44
Rot. Bonds4

About N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide

N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 3117716) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID3117716
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(C(=O)NNC(=O)C(=O)NCCO)cc1
InChIInChI=1S/C12H15N3O5/c1-20-9-4-2-8(3-5-9)10(17)14-15-12(19)11(18)13-6-7-16/h2-5,16H,6-7H2,1H3,(H,13,18)(H,14,17)(H,15,19)
InChIKeyQTKSYPLYNKQNOG-UHFFFAOYSA-N
XLogP-1.44
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
CID 17351262
2-[2-(4-methoxybenzoyl)hydrazinyl]-N-naphthalen-1-yl-2-oxoacetamide
CID 3117709
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
1-[[4-(methoxymethyl)benzoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8637730
N-[3-(2-hydroxyethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 3129001

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (CID 3117716) is N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is COc1ccc(C(=O)NNC(=O)C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is QTKSYPLYNKQNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-9-4-2-8(3-5-9)10(17)14-15-12(19)11(18)13-6-7-16/h2-5,16H,6-7H2,1H3,(H,13,18)(H,14,17)(H,15,19).
What are the key properties of N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 281.27 g/mol, XLogP of -1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3117716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).