N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide

C17H18N2O4 — CID 3375045

IUPACN-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O4/c1-4-23-14-7-8-15(16(10-14)19(21)22)18-17(20)13-6-5-11(2)12(3)9-13/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyQFBDOHGUJKBQDT-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.86
Rot. Bonds5

About N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide

N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide (PubChem CID 3375045) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
PubChem CID3375045
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O4/c1-4-23-14-7-8-15(16(10-14)19(21)22)18-17(20)13-6-5-11(2)12(3)9-13/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyQFBDOHGUJKBQDT-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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'}

Analyze N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
5-[(3,4-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)furan-2-carboxamide
CID 19450848
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 26774419
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
4-[bis(2-chloroethyl)sulfamoyl]-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 16877120
N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416918
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide
CID 3143002

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide (CID 3375045) is N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide is CCOc1ccc(NC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide?
The InChIKey is QFBDOHGUJKBQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-4-23-14-7-8-15(16(10-14)19(21)22)18-17(20)13-6-5-11(2)12(3)9-13/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide?
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide has a molecular weight of 314.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 3375045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).