N-(2-morpholin-4-yl-5-nitrophenyl)acetamide

C12H15N3O4 — CID 596194

IUPACN-(2-morpholin-4-yl-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C12H15N3O4/c1-9(16)13-11-8-10(15(17)18)2-3-12(11)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3,(H,13,16)
InChIKeyVSZZQJDBWYYLOE-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.39
Rot. Bonds3

About N-(2-morpholin-4-yl-5-nitrophenyl)acetamide

N-(2-morpholin-4-yl-5-nitrophenyl)acetamide (PubChem CID 596194) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-nitrophenyl)acetamide
PubChem CID596194
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(2-morpholin-4-yl-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C12H15N3O4/c1-9(16)13-11-8-10(15(17)18)2-3-12(11)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3,(H,13,16)
InChIKeyVSZZQJDBWYYLOE-UHFFFAOYSA-N
XLogP1.39
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

HC Blue 1
CID 17734
HC Blue 2
CID 36383
6-Nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 4038142
Acetamide, N-(2,4-dinitrophenyl)-
CID 69124
HC Yellow 5
CID 3648504
N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamine
CID 5488740
1,4-Dimethyl-6-(4-morpholinyl)-7-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 2992790
N-(3-Amino-phenyl)-2-morpholin-4-yl-acetamide
CID 1073123
2-Morpholin-4-yl-N-(4-nitro-phenyl)-acetamide
CID 2837466
(2,4-Dinitrophenyl)[2-(4-morpholinyl)ethyl]amine
CID 2853539
1-(4-{[2-(2-Hydroxyethoxy)ethyl]amino}-3-nitrophenyl)piperidine-2,6-dione
CID 16004154
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-nitrophenyl)acetamide?
The IUPAC name of N-(2-morpholin-4-yl-5-nitrophenyl)acetamide (CID 596194) is N-(2-morpholin-4-yl-5-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-nitrophenyl)acetamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-nitrophenyl)acetamide is CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-5-nitrophenyl)acetamide?
The InChIKey is VSZZQJDBWYYLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-9(16)13-11-8-10(15(17)18)2-3-12(11)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3,(H,13,16).
What are the key properties of N-(2-morpholin-4-yl-5-nitrophenyl)acetamide?
N-(2-morpholin-4-yl-5-nitrophenyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-nitrophenyl)acetamide is sourced from PubChem (CID 596194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).