2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide

C17H18N2O5 — CID 60567354

IUPAC2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-12-7-8-13(11-15(12)19(21)22)18-17(20)14-5-3-4-6-16(14)24-10-9-23-2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyKHMHDDHTXACFII-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.18
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide

2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 60567354) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID60567354
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-12-7-8-13(11-15(12)19(21)22)18-17(20)14-5-3-4-6-16(14)24-10-9-23-2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyKHMHDDHTXACFII-UHFFFAOYSA-N
XLogP3.18
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-ethoxy-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4926948
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355898
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17355406
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide
CID 30870966
N-(4-methyl-3-nitrophenyl)quinoline-4-carboxamide
CID 134008354
5-methoxy-4-(2-methoxyethoxy)-N-[4-(2-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 24563404
N-(4-carbamoylphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943115

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide (CID 60567354) is 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide is COCCOc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is KHMHDDHTXACFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-12-7-8-13(11-15(12)19(21)22)18-17(20)14-5-3-4-6-16(14)24-10-9-23-2/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide?
2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 330.34 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 60567354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).