[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate

C15H20N2O6 — CID 2369741

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1
InChIInChI=1S/C15H20N2O6/c1-2-16(11-6-4-3-5-7-11)13(18)10-22-15(19)12-8-9-14(23-12)17(20)21/h8-9,11H,2-7,10H2,1H3
InChIKeyDLLRJRFKUNWNIX-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.53
Rot. Bonds6

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate (PubChem CID 2369741) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
PubChem CID2369741
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1
InChIInChI=1S/C15H20N2O6/c1-2-16(11-6-4-3-5-7-11)13(18)10-22-15(19)12-8-9-14(23-12)17(20)21/h8-9,11H,2-7,10H2,1H3
InChIKeyDLLRJRFKUNWNIX-UHFFFAOYSA-N
XLogP2.53
TPSA102.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
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

Methyl 5-nitro-2-furoate
CID 94882
Ethyl 5-nitro-2-furoate
CID 70341
[2-Oxo-2-(3-phenylpropylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 2099057
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2351999
[2-(Cyclohexylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2387307
[2-(4-Fluoroanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2387351
(Hexahydro-1H-azepin-1-yl)(5-nitro-2-furanyl)methanone
CID 2435526
(2-Ethyl-piperidin-1-yl)-(5-nitro-furan-2-yl)-methanone
CID 2836735
(3-Methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone
CID 2843374
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 4433217
[2-Oxo-2-(2-phenylethylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 5072871
N-cyclohexyl-5-nitrofuran-2-carboxamide
CID 840339

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate (CID 2369741) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate is CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The InChIKey is DLLRJRFKUNWNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-2-16(11-6-4-3-5-7-11)13(18)10-22-15(19)12-8-9-14(23-12)17(20)21/h8-9,11H,2-7,10H2,1H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate has a molecular weight of 324.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate is sourced from PubChem (CID 2369741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).