N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide

C16H20N2O2 — CID 163878708

IUPACN-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESNC1CCC(NC(=O)C2CC(=O)c3ccccc32)CC1
InChIInChI=1S/C16H20N2O2/c17-10-5-7-11(8-6-10)18-16(20)14-9-15(19)13-4-2-1-3-12(13)14/h1-4,10-11,14H,5-9,17H2,(H,18,20)
InChIKeyPRFHQUTUJHRJPX-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.74
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide

N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 163878708) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID163878708
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESNC1CCC(NC(=O)C2CC(=O)c3ccccc32)CC1
InChIInChI=1S/C16H20N2O2/c17-10-5-7-11(8-6-10)18-16(20)14-9-15(19)13-4-2-1-3-12(13)14/h1-4,10-11,14H,5-9,17H2,(H,18,20)
InChIKeyPRFHQUTUJHRJPX-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide (CID 163878708) is N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide is NC1CCC(NC(=O)C2CC(=O)c3ccccc32)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is PRFHQUTUJHRJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-10-5-7-11(8-6-10)18-16(20)14-9-15(19)13-4-2-1-3-12(13)14/h1-4,10-11,14H,5-9,17H2,(H,18,20).
What are the key properties of N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide?
N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 163878708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).