N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide

C17H16N2O5 — CID 7762574

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)COc2ccccc2C=O)c1C
InChIInChI=1S/C17H16N2O5/c1-11-7-8-14(19(22)23)17(12(11)2)18-16(21)10-24-15-6-4-3-5-13(15)9-20/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyMQRUAPGPADJKPC-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.04
Rot. Bonds6

About N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide (PubChem CID 7762574) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide
PubChem CID7762574
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)COc2ccccc2C=O)c1C
InChIInChI=1S/C17H16N2O5/c1-11-7-8-14(19(22)23)17(12(11)2)18-16(21)10-24-15-6-4-3-5-13(15)9-20/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyMQRUAPGPADJKPC-UHFFFAOYSA-N
XLogP3.04
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7815730
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844454
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide
CID 7998135
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 7775989
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731416
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984536
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8631755
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7762730
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 8752596
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724271

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide (CID 7762574) is N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)COc2ccccc2C=O)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide?
The InChIKey is MQRUAPGPADJKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-11-7-8-14(19(22)23)17(12(11)2)18-16(21)10-24-15-6-4-3-5-13(15)9-20/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide has a molecular weight of 328.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 7762574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).