5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide

C19H22N4O8 — CID 46520903

IUPAC5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCOCCOc1cc([N+](=O)[O-])c(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C19H22N4O8/c1-29-9-10-31-18-12-16(23(27)28)13(11-17(18)30-2)19(24)21-8-7-20-14-5-3-4-6-15(14)22(25)26/h3-6,11-12,20H,7-10H2,1-2H3,(H,21,24)
InChIKeyDSZGAMUCUQWOHU-UHFFFAOYSA-N
MW434.41 g/mol
LogP2.38
Rot. Bonds12

About 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide

5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide (PubChem CID 46520903) has the molecular formula C19H22N4O8 and a molecular weight of 434.41 g/mol. Its IUPAC name is 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide
PubChem CID46520903
Molecular FormulaC19H22N4O8
Molecular Weight434.41 g/mol
Exact Mass434.14
IUPAC Name5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCOCCOc1cc([N+](=O)[O-])c(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C19H22N4O8/c1-29-9-10-31-18-12-16(23(27)28)13(11-17(18)30-2)19(24)21-8-7-20-14-5-3-4-6-15(14)22(25)26/h3-6,11-12,20H,7-10H2,1-2H3,(H,21,24)
InChIKeyDSZGAMUCUQWOHU-UHFFFAOYSA-N
XLogP2.38
TPSA155.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 5-methoxy-4-(2-methoxyethoxy)-2-nitro-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

2,4,5-trimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278201
5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
CID 24563160
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181
N-(3-aminobutyl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide;hydrochloride
CID 119496680
3-methoxy-N-[2-(2-nitroanilino)ethyl]-4-prop-2-enoxybenzamide
CID 41275702
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 46664855
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 24613247

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide?
The IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide (CID 46520903) is 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide?
The canonical SMILES for 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide is COCCOc1cc([N+](=O)[O-])c(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide?
The InChIKey is DSZGAMUCUQWOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O8/c1-29-9-10-31-18-12-16(23(27)28)13(11-17(18)30-2)19(24)21-8-7-20-14-5-3-4-6-15(14)22(25)26/h3-6,11-12,20H,7-10H2,1-2H3,(H,21,24).
What are the key properties of 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide?
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide has a molecular weight of 434.41 g/mol, XLogP of 2.38, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 46520903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).