N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide

C18H23N3O3 — CID 51127177

IUPACN-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide
SMILESCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCCCC1
InChIInChI=1S/C18H23N3O3/c1-19(15-6-4-2-3-5-7-15)18(22)13-20-11-10-14-12-16(21(23)24)8-9-17(14)20/h8-12,15H,2-7,13H2,1H3
InChIKeyQYYKBIDXARBTJG-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.73
Rot. Bonds4

About N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide

N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide (PubChem CID 51127177) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide
PubChem CID51127177
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide
SMILESCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCCCC1
InChIInChI=1S/C18H23N3O3/c1-19(15-6-4-2-3-5-7-15)18(22)13-20-11-10-14-12-16(21(23)24)8-9-17(14)20/h8-12,15H,2-7,13H2,1H3
InChIKeyQYYKBIDXARBTJG-UHFFFAOYSA-N
XLogP3.73
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide (CID 51127177) is N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide is CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide?
The InChIKey is QYYKBIDXARBTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-19(15-6-4-2-3-5-7-15)18(22)13-20-11-10-14-12-16(21(23)24)8-9-17(14)20/h8-12,15H,2-7,13H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide?
N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide is sourced from PubChem (CID 51127177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).