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

C18H20N2O5 — CID 17112581

IUPAC4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C18H20N2O5/c1-3-24-11-12-25-15-9-7-14(8-10-15)18(21)19-16-5-4-6-17(13(16)2)20(22)23/h4-10H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyUBIFLTUWEYLQFA-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.57
Rot. Bonds8

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

4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 17112581) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID17112581
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C18H20N2O5/c1-3-24-11-12-25-15-9-7-14(8-10-15)18(21)19-16-5-4-6-17(13(16)2)20(22)23/h4-10H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyUBIFLTUWEYLQFA-UHFFFAOYSA-N
XLogP3.57
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.57
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

4-(3-methylbutoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 4948152
N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
CID 9395656
4-ethoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4948861
N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26737793
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 18231124
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903
3-bromo-N-(2-methyl-3-nitrophenyl)-4-propoxybenzamide
CID 17342695
4-(ethylsulfanylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60528428
N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17130519
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide (CID 17112581) is 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide is CCOCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is UBIFLTUWEYLQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-24-11-12-25-15-9-7-14(8-10-15)18(21)19-16-5-4-6-17(13(16)2)20(22)23/h4-10H,3,11-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide?
4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 344.37 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 17112581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).