4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide

C14H19N3O4 — CID 82728855

IUPAC4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)NC2CCOC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-3-15-12-5-4-10(8-13(12)17(19)20)14(18)16-11-6-7-21-9(11)2/h4-5,8-9,11,15H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyFVZYTKPNABPSHE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds5

About 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide

4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide (PubChem CID 82728855) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
PubChem CID82728855
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)NC2CCOC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-3-15-12-5-4-10(8-13(12)17(19)20)14(18)16-11-6-7-21-9(11)2/h4-5,8-9,11,15H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyFVZYTKPNABPSHE-UHFFFAOYSA-N
XLogP1.93
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
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'}

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Related Compounds

4-hydroxy-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
CID 131961007
4-(ethylamino)-3-nitro-N-(thian-4-yl)benzamide
CID 115599746
3-(ethylamino)-4-nitro-N-(oxolan-3-yl)benzamide
CID 80715844
N-(1-adamantyl)-4-(ethylamino)-3-nitrobenzamide
CID 26910705
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209
5-fluoro-N-(2-methyloxolan-3-yl)-2-nitrobenzamide
CID 82724927
4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide
CID 115673070
4-(ethylamino)-3-nitro-N-(thiolan-3-ylmethyl)benzamide
CID 107298199
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
[4-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60675953
4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159
3-nitro-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 103064692

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide?
The IUPAC name of 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide (CID 82728855) is 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide is CCNc1ccc(C(=O)NC2CCOC2C)cc1[N+](=O)[O-].
What is the InChIKey of 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide?
The InChIKey is FVZYTKPNABPSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-15-12-5-4-10(8-13(12)17(19)20)14(18)16-11-6-7-21-9(11)2/h4-5,8-9,11,15H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide?
4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 82728855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).