4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide

C14H19N3O4 — CID 115294049

IUPAC4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(N)CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-2-10-3-4-11(9-12(10)17(19)20)16-13(18)14(15)5-7-21-8-6-14/h3-4,9H,2,5-8,15H2,1H3,(H,16,18)
InChIKeyGSINTFHLCKDQCL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.60
Rot. Bonds4

About 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide

4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide (PubChem CID 115294049) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide
PubChem CID115294049
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(N)CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-2-10-3-4-11(9-12(10)17(19)20)16-13(18)14(15)5-7-21-8-6-14/h3-4,9H,2,5-8,15H2,1H3,(H,16,18)
InChIKeyGSINTFHLCKDQCL-UHFFFAOYSA-N
XLogP1.60
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
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'}

Analyze 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-ethyl-3-nitrophenyl)oxolane-3-carboxamide
CID 64893968
2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
CID 79853814
4-amino-N-(4-methyl-2-nitrophenyl)oxane-4-carboxamide
CID 115293950
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 113385263
4-amino-N-(2,4-dimethyl-5-nitrophenyl)oxane-4-carboxamide
CID 104757718
4-(aminomethyl)-N-(4-bromo-3-nitrophenyl)oxane-4-carboxamide
CID 115439717
1-amino-N-(4-chloro-3-nitrophenyl)cyclobutane-1-carboxamide
CID 81178722
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
CID 34655093
4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide
CID 115293826

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide (CID 115294049) is 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide is CCc1ccc(NC(=O)C2(N)CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide?
The InChIKey is GSINTFHLCKDQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-10-3-4-11(9-12(10)17(19)20)16-13(18)14(15)5-7-21-8-6-14/h3-4,9H,2,5-8,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide?
4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide is sourced from PubChem (CID 115294049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).