N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide

C19H21N3O5 — CID 2988593

IUPACN-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O5/c1-2-27-16-6-3-14(4-7-16)20-19(23)17-13-15(22(24)25)5-8-18(17)21-9-11-26-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,23)
InChIKeyMEJWBOJUGDJWEI-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.08
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 2988593) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID2988593
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O5/c1-2-27-16-6-3-14(4-7-16)20-19(23)17-13-15(22(24)25)5-8-18(17)21-9-11-26-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,23)
InChIKeyMEJWBOJUGDJWEI-UHFFFAOYSA-N
XLogP3.08
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 2988593) is N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide is CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is MEJWBOJUGDJWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-2-27-16-6-3-14(4-7-16)20-19(23)17-13-15(22(24)25)5-8-18(17)21-9-11-26-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 371.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 2988593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).