[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate

C11H12N2O6 — CID 2351966

IUPAC[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COC(C)=O
InChIInChI=1S/C11H12N2O6/c1-7(14)19-6-11(15)12-9-5-8(13(16)17)3-4-10(9)18-2/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyRRCFKXUANYDNBQ-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.11
Rot. Bonds5

About [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate

[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate (PubChem CID 2351966) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate
PubChem CID2351966
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COC(C)=O
InChIInChI=1S/C11H12N2O6/c1-7(14)19-6-11(15)12-9-5-8(13(16)17)3-4-10(9)18-2/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyRRCFKXUANYDNBQ-UHFFFAOYSA-N
XLogP1.11
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
3'-Amino-4'-methoxyacetanilide
CID 80779
3'-Nitro-p-acetophenetidide
CID 15685
5'-Nitro-2'-propoxyacetanilide
CID 68377
N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
4'-Methoxy-3'-nitroacetanilide
CID 95043
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 6483753
5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one
CID 263965
Butanoic acid, 3-[[5-(acetylamino)-2-methoxyphenyl]amino]-, ethyl ester
CID 172818
[2-(2-Methoxy-5-nitroanilino)-2-oxoethyl] propanoate
CID 2087469
N-(3-nitrophenyl)-2-phenoxypropanamide
CID 2891445

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate (CID 2351966) is [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate is COc1ccc([N+](=O)[O-])cc1NC(=O)COC(C)=O.
What is the InChIKey of [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate?
The InChIKey is RRCFKXUANYDNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c1-7(14)19-6-11(15)12-9-5-8(13(16)17)3-4-10(9)18-2/h3-5H,6H2,1-2H3,(H,12,15).
What are the key properties of [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate?
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate has a molecular weight of 268.23 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 2351966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).