3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C19H21N3O5 — CID 17412374

IUPAC3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1
InChIInChI=1S/C19H21N3O5/c1-11-7-12(2)18(13(3)8-11)20-17(24)10-21(4)19(25)14-5-6-15(22(26)27)16(23)9-14/h5-9,23H,10H2,1-4H3,(H,20,24)
InChIKeyNLKTYVIZVYUHPB-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.94
Rot. Bonds5

About 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 17412374) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID17412374
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1
InChIInChI=1S/C19H21N3O5/c1-11-7-12(2)18(13(3)8-11)20-17(24)10-21(4)19(25)14-5-6-15(22(26)27)16(23)9-14/h5-9,23H,10H2,1-4H3,(H,20,24)
InChIKeyNLKTYVIZVYUHPB-UHFFFAOYSA-N
XLogP2.94
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.94
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 3-hydroxy-N-methyl-4-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

4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
CID 113228241
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
4-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7478620
4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide
CID 56546028
3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185746
6-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 27016019
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 27788279
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 27807402

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 17412374) is 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1.
What is the InChIKey of 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is NLKTYVIZVYUHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-11-7-12(2)18(13(3)8-11)20-17(24)10-21(4)19(25)14-5-6-15(22(26)27)16(23)9-14/h5-9,23H,10H2,1-4H3,(H,20,24).
What are the key properties of 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 17412374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).