N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide

C15H19N3O5 — CID 4084352

IUPACN-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide
SMILESCCCN1CCOC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C15H19N3O5/c1-2-7-17-8-9-23-13(15(17)20)10-14(19)16-11-3-5-12(6-4-11)18(21)22/h3-6,13H,2,7-10H2,1H3,(H,16,19)
InChIKeySYNMIUSOESQORS-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.56
Rot. Bonds6

About N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide

N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide (PubChem CID 4084352) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide
PubChem CID4084352
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide
SMILESCCCN1CCOC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C15H19N3O5/c1-2-7-17-8-9-23-13(15(17)20)10-14(19)16-11-3-5-12(6-4-11)18(21)22/h3-6,13H,2,7-10H2,1H3,(H,16,19)
InChIKeySYNMIUSOESQORS-UHFFFAOYSA-N
XLogP1.56
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide?
The IUPAC name of N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide (CID 4084352) is N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide is CCCN1CCOC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide?
The InChIKey is SYNMIUSOESQORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-2-7-17-8-9-23-13(15(17)20)10-14(19)16-11-3-5-12(6-4-11)18(21)22/h3-6,13H,2,7-10H2,1H3,(H,16,19).
What are the key properties of N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide?
N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide has a molecular weight of 321.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-(3-oxo-4-propylmorpholin-2-yl)acetamide is sourced from PubChem (CID 4084352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).