morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone

C15H19N3O5 — CID 2920052

IUPACmorpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESO=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCOCC1
InChIInChI=1S/C15H19N3O5/c19-15(17-5-9-23-10-6-17)13-11-12(18(20)21)1-2-14(13)16-3-7-22-8-4-16/h1-2,11H,3-10H2
InChIKeyDHWMHBVFMVLDNF-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.90
Rot. Bonds3

About morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone

morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone (PubChem CID 2920052) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone
PubChem CID2920052
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Namemorpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESO=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCOCC1
InChIInChI=1S/C15H19N3O5/c19-15(17-5-9-23-10-6-17)13-11-12(18(20)21)1-2-14(13)16-3-7-22-8-4-16/h1-2,11H,3-10H2
InChIKeyDHWMHBVFMVLDNF-UHFFFAOYSA-N
XLogP0.90
TPSA85.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
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 morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The IUPAC name of morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone (CID 2920052) is morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone.
What is the SMILES notation for morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The canonical SMILES for morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone is O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The InChIKey is DHWMHBVFMVLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-15(17-5-9-23-10-6-17)13-11-12(18(20)21)1-2-14(13)16-3-7-22-8-4-16/h1-2,11H,3-10H2.
What are the key properties of morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone?
morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone has a molecular weight of 321.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone is sourced from PubChem (CID 2920052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).