N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

C18H21N3O5 — CID 8820907

IUPACN-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1
InChIInChI=1S/C18H21N3O5/c1-2-19(12-6-4-3-5-7-12)16(22)11-20-17(23)14-9-8-13(21(25)26)10-15(14)18(20)24/h8-10,12H,2-7,11H2,1H3
InChIKeyIXRABGUENFECFI-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.37
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide

N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 8820907) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID8820907
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1
InChIInChI=1S/C18H21N3O5/c1-2-19(12-6-4-3-5-7-12)16(22)11-20-17(23)14-9-8-13(21(25)26)10-15(14)18(20)24/h8-10,12H,2-7,11H2,1H3
InChIKeyIXRABGUENFECFI-UHFFFAOYSA-N
XLogP2.37
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (CID 8820907) is N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is CCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is IXRABGUENFECFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-2-19(12-6-4-3-5-7-12)16(22)11-20-17(23)14-9-8-13(21(25)26)10-15(14)18(20)24/h8-10,12H,2-7,11H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 8820907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).