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

C17H19N3O5 — CID 2385615

IUPACN-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1
InChIInChI=1S/C17H19N3O5/c1-18(11-5-3-2-4-6-11)15(21)10-19-16(22)13-8-7-12(20(24)25)9-14(13)17(19)23/h7-9,11H,2-6,10H2,1H3
InChIKeyQQJBEZNRGKWQCO-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.98
Rot. Bonds4

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

N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2385615) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2385615
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1
InChIInChI=1S/C17H19N3O5/c1-18(11-5-3-2-4-6-11)15(21)10-19-16(22)13-8-7-12(20(24)25)9-14(13)17(19)23/h7-9,11H,2-6,10H2,1H3
InChIKeyQQJBEZNRGKWQCO-UHFFFAOYSA-N
XLogP1.98
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.98
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-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide (CID 2385615) is N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is CN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is QQJBEZNRGKWQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-18(11-5-3-2-4-6-11)15(21)10-19-16(22)13-8-7-12(20(24)25)9-14(13)17(19)23/h7-9,11H,2-6,10H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide?
N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 345.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2385615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).