4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide

C13H18N4O4 — CID 83099245

IUPAC4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide
SMILESCCNc1cc(N2CCOCC2C(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O4/c1-2-15-9-5-10(7-11(6-9)17(19)20)16-3-4-21-8-12(16)13(14)18/h5-7,12,15H,2-4,8H2,1H3,(H2,14,18)
InChIKeyUDWYAOTVNOEMSE-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.72
Rot. Bonds5

About 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide

4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide (PubChem CID 83099245) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide
PubChem CID83099245
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide
SMILESCCNc1cc(N2CCOCC2C(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O4/c1-2-15-9-5-10(7-11(6-9)17(19)20)16-3-4-21-8-12(16)13(14)18/h5-7,12,15H,2-4,8H2,1H3,(H2,14,18)
InChIKeyUDWYAOTVNOEMSE-UHFFFAOYSA-N
XLogP0.72
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide
CID 83104244
1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
CID 80729334
N-ethyl-3-(2-methylpiperidin-1-yl)-5-nitroaniline
CID 80766851
1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
2-(3-carbamoylmorpholin-4-yl)-5-nitrobenzoic acid
CID 83098123
4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535670
N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
CID 83045065
4-[2-(ethylamino)-6-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83106116
4-(4-formyl-2-nitrophenyl)morpholine-3-carboxamide
CID 83096234
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
CID 112648201
8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80818737

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide (CID 83099245) is 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide is CCNc1cc(N2CCOCC2C(N)=O)cc([N+](=O)[O-])c1.
What is the InChIKey of 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide?
The InChIKey is UDWYAOTVNOEMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-2-15-9-5-10(7-11(6-9)17(19)20)16-3-4-21-8-12(16)13(14)18/h5-7,12,15H,2-4,8H2,1H3,(H2,14,18).
What are the key properties of 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide?
4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83099245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).