5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C19H21N3O5 — CID 47847319

IUPAC5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H21N3O5/c1-11-7-12(2)18(13(3)8-11)21-17(23)10-20-19(24)15-9-14(27-4)5-6-16(15)22(25)26/h5-9H,10H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyCANCGLKBXYMPTQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.90
Rot. Bonds6

About 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 47847319) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID47847319
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H21N3O5/c1-11-7-12(2)18(13(3)8-11)21-17(23)10-20-19(24)15-9-14(27-4)5-6-16(15)22(25)26/h5-9H,10H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyCANCGLKBXYMPTQ-UHFFFAOYSA-N
XLogP2.90
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
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 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide 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

5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-nitrobenzamide
CID 112794669
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 8537580
3-[(5-methoxy-2-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249801
4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27782813
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 4785770
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357
2-(4-nitrophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26714074
5-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]furan-2-carboxamide
CID 26713870
2,3-dimethoxy-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713943
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 47847319) is 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is COc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is CANCGLKBXYMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-11-7-12(2)18(13(3)8-11)21-17(23)10-20-19(24)15-9-14(27-4)5-6-16(15)22(25)26/h5-9H,10H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 47847319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).