N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide

C10H12N2O4 — CID 16769548

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CO)c1C
InChIInChI=1S/C10H12N2O4/c1-6-3-4-8(12(15)16)10(7(6)2)11-9(14)5-13/h3-4,13H,5H2,1-2H3,(H,11,14)
InChIKeyYBLYMFXCONXPJE-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.14
Rot. Bonds3

About N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide (PubChem CID 16769548) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
PubChem CID16769548
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CO)c1C
InChIInChI=1S/C10H12N2O4/c1-6-3-4-8(12(15)16)10(7(6)2)11-9(14)5-13/h3-4,13H,5H2,1-2H3,(H,11,14)
InChIKeyYBLYMFXCONXPJE-UHFFFAOYSA-N
XLogP1.14
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethyl-6-nitrophenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8520284
2-(azocan-1-ium-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8550084
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium
CID 8717795
benzhydryl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]azanium
CID 8548634
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 8676685
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8520133
2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7815730
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8709670
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7951960
N-(2,3-dimethyl-6-nitrophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8710728
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654063
ethyl 4-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8543800

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide (CID 16769548) is N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)CO)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide?
The InChIKey is YBLYMFXCONXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-3-4-8(12(15)16)10(7(6)2)11-9(14)5-13/h3-4,13H,5H2,1-2H3,(H,11,14).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide has a molecular weight of 224.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 16769548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).