5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide

C17H25N3O6 — CID 119535264

IUPAC5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOCCOc1cc([N+](=O)[O-])c(C(=O)NCCC2CCNC2)cc1OC
InChIInChI=1S/C17H25N3O6/c1-24-7-8-26-16-10-14(20(22)23)13(9-15(16)25-2)17(21)19-6-4-12-3-5-18-11-12/h9-10,12,18H,3-8,11H2,1-2H3,(H,19,21)
InChIKeyRIMUVLLXBSOXGI-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.36
Rot. Bonds10

About 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide

5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119535264) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119535264
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOCCOc1cc([N+](=O)[O-])c(C(=O)NCCC2CCNC2)cc1OC
InChIInChI=1S/C17H25N3O6/c1-24-7-8-26-16-10-14(20(22)23)13(9-15(16)25-2)17(21)19-6-4-12-3-5-18-11-12/h9-10,12,18H,3-8,11H2,1-2H3,(H,19,21)
InChIKeyRIMUVLLXBSOXGI-UHFFFAOYSA-N
XLogP1.36
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
CID 24563160
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119461237
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511711
4-ethoxy-5-methoxy-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450881
N-(4-aminocyclohexyl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 119476234
4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739
N-(3-aminobutyl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide;hydrochloride
CID 119496680
2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534991
4-ethoxy-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535571
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55742282
2-amino-5-methyl-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536275

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119535264) is 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide is COCCOc1cc([N+](=O)[O-])c(C(=O)NCCC2CCNC2)cc1OC.
What is the InChIKey of 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is RIMUVLLXBSOXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-24-7-8-26-16-10-14(20(22)23)13(9-15(16)25-2)17(21)19-6-4-12-3-5-18-11-12/h9-10,12,18H,3-8,11H2,1-2H3,(H,19,21).
What are the key properties of 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 367.40 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119535264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).