N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide

C18H20N4O5 — CID 55957393

IUPACN-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N4O5/c1-27-10-9-19-15-8-7-13(11-16(15)22(25)26)18(24)20-12-17(23)21-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyOUOJFKWBYCDGAP-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.02
Rot. Bonds9

About N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide

N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 55957393) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID55957393
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N4O5/c1-27-10-9-19-15-8-7-13(11-16(15)22(25)26)18(24)20-12-17(23)21-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyOUOJFKWBYCDGAP-UHFFFAOYSA-N
XLogP2.02
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 24628947
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
4-(benzylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 35864190
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
CID 27826692
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
4-(2-methoxyethylamino)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-nitrobenzamide
CID 55957153
4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 42236853
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide (CID 55957393) is N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide is COCCNc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is OUOJFKWBYCDGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-27-10-9-19-15-8-7-13(11-16(15)22(25)26)18(24)20-12-17(23)21-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide has a molecular weight of 372.38 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 55957393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).