N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide

C17H21N3O6 — CID 19174378

IUPACN-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
SMILESCOCCNC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C17H21N3O6/c1-26-11-9-18-14(21)8-3-2-4-10-19-16(22)12-6-5-7-13(20(24)25)15(12)17(19)23/h5-7H,2-4,8-11H2,1H3,(H,18,21)
InChIKeyQQTVZJRDCBZICY-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.51
Rot. Bonds10

About N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide

N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide (PubChem CID 19174378) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
PubChem CID19174378
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC NameN-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
SMILESCOCCNC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C17H21N3O6/c1-26-11-9-18-14(21)8-3-2-4-10-19-16(22)12-6-5-7-13(20(24)25)15(12)17(19)23/h5-7H,2-4,8-11H2,1H3,(H,18,21)
InChIKeyQQTVZJRDCBZICY-UHFFFAOYSA-N
XLogP1.51
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide 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-methyl-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide
CID 3661576
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
4-nitro-2-[4-(4-nitro-1,3-dioxoisoindol-2-yl)butyl]isoindole-1,3-dione
CID 3100255
N-[2-(dimethylamino)ethyl]-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 110839140
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 27173719
N-butyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2704808
4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoic acid
CID 765472
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 19174241
N-(3-fluorophenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 19170181
N-(4-butylphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 19170154
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 108737435
4-[[4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]methyl]benzamide
CID 108743913

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide?
The IUPAC name of N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide (CID 19174378) is N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide is COCCNC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O.
What is the InChIKey of N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide?
The InChIKey is QQTVZJRDCBZICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-26-11-9-18-14(21)8-3-2-4-10-19-16(22)12-6-5-7-13(20(24)25)15(12)17(19)23/h5-7H,2-4,8-11H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide?
N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide has a molecular weight of 363.37 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide is sourced from PubChem (CID 19174378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).