N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide

C19H22N2O5 — CID 86912988

IUPACN-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
SMILESCCOc1cc(NC(=O)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OCC
InChIInChI=1S/C19H22N2O5/c1-5-25-17-10-15(16(21(23)24)11-18(17)26-6-2)20-19(22)14-8-7-12(3)9-13(14)4/h7-11H,5-6H2,1-4H3,(H,20,22)
InChIKeyTUHKZNSLKFKIOK-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.26
Rot. Bonds7

About N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide

N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide (PubChem CID 86912988) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
PubChem CID86912988
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
SMILESCCOc1cc(NC(=O)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OCC
InChIInChI=1S/C19H22N2O5/c1-5-25-17-10-15(16(21(23)24)11-18(17)26-6-2)20-19(22)14-8-7-12(3)9-13(14)4/h7-11H,5-6H2,1-4H3,(H,20,22)
InChIKeyTUHKZNSLKFKIOK-UHFFFAOYSA-N
XLogP4.26
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4,5-diethoxy-2-nitrophenyl)-2,4-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

N-(2-cyano-4,5-diethoxyphenyl)-3-methyl-4-nitrobenzamide
CID 1263266
N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258
N'-(3,4-diethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600078
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8647917
N-(4,5-diethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 86912979
(4,5-diethoxy-2-nitrophenyl)hydrazine
CID 60920771
N-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 34051188
methyl 2-[4-[(5-ethoxy-4-methoxy-2-nitrobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916364

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide (CID 86912988) is N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide is CCOc1cc(NC(=O)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OCC.
What is the InChIKey of N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide?
The InChIKey is TUHKZNSLKFKIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-5-25-17-10-15(16(21(23)24)11-18(17)26-6-2)20-19(22)14-8-7-12(3)9-13(14)4/h7-11H,5-6H2,1-4H3,(H,20,22).
What are the key properties of N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide?
N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide has a molecular weight of 358.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 86912988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).