N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide

C18H20N2O3 — CID 50880734

IUPACN-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide
SMILESCCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-5-14-10-16(20(22)23)9-13(4)17(14)19-18(21)15-7-6-11(2)12(3)8-15/h6-10H,5H2,1-4H3,(H,19,21)
InChIKeySFFFRPQVSPCTSA-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.33
Rot. Bonds4

About N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide

N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide (PubChem CID 50880734) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide
PubChem CID50880734
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide
SMILESCCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-5-14-10-16(20(22)23)9-13(4)17(14)19-18(21)15-7-6-11(2)12(3)8-15/h6-10H,5H2,1-4H3,(H,19,21)
InChIKeySFFFRPQVSPCTSA-UHFFFAOYSA-N
XLogP4.33
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880321
4-bromo-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880239
N-(2-ethyl-6-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 50880684
N-(2-ethyl-6-methyl-4-nitrophenyl)-2-fluorobenzamide
CID 50880326
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495
N-(3,4-dimethylphenyl)-3,5-dinitrobenzamide
CID 5181913
N-(2-ethyl-6-methylphenyl)-3-methylsulfonyl-5-nitrobenzamide
CID 47076563
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
N-(2-ethyl-6-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 717977
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide (CID 50880734) is N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide is CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide?
The InChIKey is SFFFRPQVSPCTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-5-14-10-16(20(22)23)9-13(4)17(14)19-18(21)15-7-6-11(2)12(3)8-15/h6-10H,5H2,1-4H3,(H,19,21).
What are the key properties of N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide?
N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 50880734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).