N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide

C17H24N2O2 — CID 83206156

IUPACN-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide
SMILESO=C(Cn1cc2c(c1)C(=O)CCC2)NC1CCCCCC1
InChIInChI=1S/C17H24N2O2/c20-16-9-5-6-13-10-19(11-15(13)16)12-17(21)18-14-7-3-1-2-4-8-14/h10-11,14H,1-9,12H2,(H,18,21)
InChIKeyNXRKYJWTWGHSMW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.85
Rot. Bonds3

About N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide

N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide (PubChem CID 83206156) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide
PubChem CID83206156
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide
SMILESO=C(Cn1cc2c(c1)C(=O)CCC2)NC1CCCCCC1
InChIInChI=1S/C17H24N2O2/c20-16-9-5-6-13-10-19(11-15(13)16)12-17(21)18-14-7-3-1-2-4-8-14/h10-11,14H,1-9,12H2,(H,18,21)
InChIKeyNXRKYJWTWGHSMW-UHFFFAOYSA-N
XLogP2.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide (CID 83206156) is N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide is O=C(Cn1cc2c(c1)C(=O)CCC2)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide?
The InChIKey is NXRKYJWTWGHSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16-9-5-6-13-10-19(11-15(13)16)12-17(21)18-14-7-3-1-2-4-8-14/h10-11,14H,1-9,12H2,(H,18,21).
What are the key properties of N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide?
N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)acetamide is sourced from PubChem (CID 83206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).