2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide

C17H18N2O6 — CID 16913165

IUPAC2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1
InChIInChI=1S/C17H18N2O6/c1-23-13-6-4-11(16(10-13)25-3)8-17(20)18-14-9-12(19(21)22)5-7-15(14)24-2/h4-7,9-10H,8H2,1-3H3,(H,18,20)
InChIKeyFTEYKWCRZFRHMO-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.80
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 16913165) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID16913165
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1
InChIInChI=1S/C17H18N2O6/c1-23-13-6-4-11(16(10-13)25-3)8-17(20)18-14-9-12(19(21)22)5-7-15(14)24-2/h4-7,9-10H,8H2,1-3H3,(H,18,20)
InChIKeyFTEYKWCRZFRHMO-UHFFFAOYSA-N
XLogP2.80
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.80
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

2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17450420
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
CID 9401565
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 100698766
(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1307684
3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1178404
2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493113
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 16913165) is 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is FTEYKWCRZFRHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-23-13-6-4-11(16(10-13)25-3)8-17(20)18-14-9-12(19(21)22)5-7-15(14)24-2/h4-7,9-10H,8H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 346.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 16913165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).