N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide

C17H18N2O5 — CID 30156711

IUPACN-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
SMILESCOc1cc(OCC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-11-5-4-6-14(12(11)2)18-17(20)10-24-13-7-8-15(19(21)22)16(9-13)23-3/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyXQVOYNHOAWJOAH-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.24
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide

N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide (PubChem CID 30156711) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
PubChem CID30156711
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
SMILESCOc1cc(OCC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-11-5-4-6-14(12(11)2)18-17(20)10-24-13-7-8-15(19(21)22)16(9-13)23-3/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyXQVOYNHOAWJOAH-UHFFFAOYSA-N
XLogP3.24
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 48846843
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
2-(3,5-dimethoxyphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 99598387
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
2-(3-methoxy-4-nitrophenoxy)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 95165026
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide (CID 30156711) is N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide is COc1cc(OCC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide?
The InChIKey is XQVOYNHOAWJOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11-5-4-6-14(12(11)2)18-17(20)10-24-13-7-8-15(19(21)22)16(9-13)23-3/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide?
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide has a molecular weight of 330.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide is sourced from PubChem (CID 30156711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).