(2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate

C19H19N3O6 — CID 7404236

IUPAC(2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate
SMILESO=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C19H19N3O6/c23-18(20-14-4-2-1-3-5-14)13-28-19(24)16-12-15(22(25)26)6-7-17(16)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyIGVCHZZLLZXVDM-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.23
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate

(2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate (PubChem CID 7404236) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate
PubChem CID7404236
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name(2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate
SMILESO=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C19H19N3O6/c23-18(20-14-4-2-1-3-5-14)13-28-19(24)16-12-15(22(25)26)6-7-17(16)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyIGVCHZZLLZXVDM-UHFFFAOYSA-N
XLogP2.23
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 29181204
[2-(4-acetamidoanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16796841
[2-(3-chloroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542140
[2-(2-iodoanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542090
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 18075404
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542152
[2-oxo-2-(2-phenylethylamino)ethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542151
[2-oxo-2-(propan-2-ylamino)ethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 7404138
[2-(4-fluoroanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7837390
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16959003
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 55321134
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 46607103

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate (CID 7404236) is (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate is O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate?
The InChIKey is IGVCHZZLLZXVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c23-18(20-14-4-2-1-3-5-14)13-28-19(24)16-12-15(22(25)26)6-7-17(16)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23).
What are the key properties of (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate?
(2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate has a molecular weight of 385.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-morpholin-4-yl-5-nitrobenzoate is sourced from PubChem (CID 7404236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).