3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide

C17H19N3O5 — CID 9278183

IUPAC3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O5/c1-24-13-9-12(10-14(11-13)25-2)17(21)19-8-7-18-15-5-3-4-6-16(15)20(22)23/h3-6,9-11,18H,7-8H2,1-2H3,(H,19,21)
InChIKeyIQTMESXKNILCLK-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.45
Rot. Bonds8

About 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide

3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide (PubChem CID 9278183) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
PubChem CID9278183
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O5/c1-24-13-9-12(10-14(11-13)25-2)17(21)19-8-7-18-15-5-3-4-6-16(15)20(22)23/h3-6,9-11,18H,7-8H2,1-2H3,(H,19,21)
InChIKeyIQTMESXKNILCLK-UHFFFAOYSA-N
XLogP2.45
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-N-[2-(2-nitroanilino)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

3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide
CID 9278422
2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181
3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
2,4,5-trimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278201
3-(difluoromethoxy)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278108
3-(methoxymethyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278890
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278952
3,5-dimethoxy-N-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]benzamide
CID 17191720
3-methoxy-N-[2-(2-nitroanilino)ethyl]-4-prop-2-enoxybenzamide
CID 41275702
N-(3,5-dimethoxyphenyl)-3-(2-nitroanilino)propanamide
CID 16962807

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide (CID 9278183) is 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide?
The InChIKey is IQTMESXKNILCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-24-13-9-12(10-14(11-13)25-2)17(21)19-8-7-18-15-5-3-4-6-16(15)20(22)23/h3-6,9-11,18H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide?
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide has a molecular weight of 345.36 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 9278183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).