N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide

C17H18N2O4 — CID 167080640

IUPACN-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
SMILESCCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H18N2O4/c1-4-12-10-13(19(21)22)6-7-15(12)18-17(20)14-9-11(2)5-8-16(14)23-3/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyVLEFHCIXTTZNKQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.73
Rot. Bonds5

About N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide

N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide (PubChem CID 167080640) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
PubChem CID167080640
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
SMILESCCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H18N2O4/c1-4-12-10-13(19(21)22)6-7-15(12)18-17(20)14-9-11(2)5-8-16(14)23-3/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyVLEFHCIXTTZNKQ-UHFFFAOYSA-N
XLogP3.73
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
CID 4982416
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
CID 7578693
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 81110110
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide (CID 167080640) is N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide is CCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is VLEFHCIXTTZNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-4-12-10-13(19(21)22)6-7-15(12)18-17(20)14-9-11(2)5-8-16(14)23-3/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide?
N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide has a molecular weight of 314.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 167080640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).