3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide

C19H23N3O6 — CID 24552848

IUPAC3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
SMILESCOc1cc(C(=O)NCCN(C)c2ccccc2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C19H23N3O6/c1-21(13-8-6-5-7-9-13)11-10-20-19(23)14-12-15(26-2)17(27-3)18(28-4)16(14)22(24)25/h5-9,12H,10-11H2,1-4H3,(H,20,23)
InChIKeyYUVPUFVHMKAWGG-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.49
Rot. Bonds9

About 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide

3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide (PubChem CID 24552848) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
PubChem CID24552848
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
SMILESCOc1cc(C(=O)NCCN(C)c2ccccc2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C19H23N3O6/c1-21(13-8-6-5-7-9-13)11-10-20-19(23)14-12-15(26-2)17(27-3)18(28-4)16(14)22(24)25/h5-9,12H,10-11H2,1-4H3,(H,20,23)
InChIKeyYUVPUFVHMKAWGG-UHFFFAOYSA-N
XLogP2.49
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide 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-butyl-3,4,5-trimethoxy-2-nitrobenzamide
CID 36711009
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 25489476
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
3,4,5-trimethoxy-2-nitro-N-nonylbenzamide
CID 46549879
3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395019
3,4,5-trimethoxy-N-methyl-2-nitrobenzamide
CID 46786337
N-(2-benzamidophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55923891
N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 46424831
N-[(Z)-benzylideneamino]-3,4,5-trimethoxy-2-nitrobenzamide
CID 5434191
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-nitrobenzamide
CID 27882769
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
(E)-N-[2-(N-methylanilino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24560393

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide (CID 24552848) is 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide is COc1cc(C(=O)NCCN(C)c2ccccc2)c([N+](=O)[O-])c(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide?
The InChIKey is YUVPUFVHMKAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-21(13-8-6-5-7-9-13)11-10-20-19(23)14-12-15(26-2)17(27-3)18(28-4)16(14)22(24)25/h5-9,12H,10-11H2,1-4H3,(H,20,23).
What are the key properties of 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide?
3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide has a molecular weight of 389.41 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 24552848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).