N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide

C19H21N3O6 — CID 17218280

IUPACN-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O6/c1-13(28-17-6-4-3-5-16(17)22(25)26)18(23)21-15-9-7-14(8-10-15)19(24)20-11-12-27-2/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyOLAWEECZKRJQRB-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.38
Rot. Bonds9

About N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide

N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide (PubChem CID 17218280) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide
PubChem CID17218280
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O6/c1-13(28-17-6-4-3-5-16(17)22(25)26)18(23)21-15-9-7-14(8-10-15)19(24)20-11-12-27-2/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyOLAWEECZKRJQRB-UHFFFAOYSA-N
XLogP2.38
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.38
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 N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]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

N-(2-methoxyethyl)-4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 17218256
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
2-[2-(2-nitrophenoxy)propanoylamino]ethyl nitrate
CID 15839962
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
2-(2-nitrophenoxy)-N-[8-[2-(2-nitrophenoxy)propanoylamino]octyl]propanamide
CID 17233381

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide (CID 17218280) is N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide is COCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide?
The InChIKey is OLAWEECZKRJQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-13(28-17-6-4-3-5-16(17)22(25)26)18(23)21-15-9-7-14(8-10-15)19(24)20-11-12-27-2/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide?
N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide has a molecular weight of 387.39 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17218280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).