N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide

C10H12N4O6-2 — CID 163164522

IUPACN-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)c(N(O)O)cc1N([O-])[O-]
InChIInChI=1S/C10H12N4O6/c1-5(15)11-7-3-8(12-6(2)16)10(14(19)20)4-9(7)13(17)18/h3-4,17-18H,1-2H3,(H,11,15)(H,12,16)/q-2
InChIKeyCLSDEKPHWSHSLX-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.99
Rot. Bonds4

About N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide

N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide (PubChem CID 163164522) has the molecular formula C10H12N4O6-2 and a molecular weight of 284.23 g/mol. Its IUPAC name is N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide
PubChem CID163164522
Molecular FormulaC10H12N4O6-2
Molecular Weight284.23 g/mol
Exact Mass284.08
IUPAC NameN-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)c(N(O)O)cc1N([O-])[O-]
InChIInChI=1S/C10H12N4O6/c1-5(15)11-7-3-8(12-6(2)16)10(14(19)20)4-9(7)13(17)18/h3-4,17-18H,1-2H3,(H,11,15)(H,12,16)/q-2
InChIKeyCLSDEKPHWSHSLX-UHFFFAOYSA-N
XLogP0.99
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
N-[5-[hydroxy(oxido)amino]-2-oxo-1,3-dihydroindol-6-yl]acetamide
CID 163177449
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
CID 163147693
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 163154528
N-[2-(dihydroxyamino)-4-(dioxidoamino)anilino]-N'-(2-oxopropyl)ethanimidamide
CID 21157423
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
5-acetamido-4-(dimethylamino)-2-methoxybenzoate
CID 6936110
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
2,4,6-triacetamidobenzoic acid
CID 155677349
N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843

Frequently Asked Questions

What is the IUPAC name of N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide?
The IUPAC name of N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide (CID 163164522) is N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide.
What is the SMILES notation for N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide?
The canonical SMILES for N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)c(N(O)O)cc1N([O-])[O-].
What is the InChIKey of N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide?
The InChIKey is CLSDEKPHWSHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O6/c1-5(15)11-7-3-8(12-6(2)16)10(14(19)20)4-9(7)13(17)18/h3-4,17-18H,1-2H3,(H,11,15)(H,12,16)/q-2.
What are the key properties of N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide?
N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide has a molecular weight of 284.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetamido-2-(dihydroxyamino)-4-(dioxidoamino)phenyl]acetamide is sourced from PubChem (CID 163164522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).