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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Related Compounds

N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
CID 83205581
N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide
CID 83209831
2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)-N-prop-2-ynylacetamide
CID 83209004
N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
CID 83205587
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 103961997
N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide
CID 83209148
N-cyclopropyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
CID 83206024
2-[3,4-bis(tert-butylsulfamoyl)pyrrol-1-yl]-N-cyclohexylacetamide
CID 20927507
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-octyl-6,7-dihydro-5H-isoindol-4-one
CID 83208596
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226

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).