N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide

C21H28N2O3 — CID 3148604

IUPACN-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide
SMILESO=C(CCCCCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1
InChIInChI=1S/C21H28N2O3/c24-19(22-16-10-4-3-5-11-16)14-6-1-2-9-15-23-20(25)17-12-7-8-13-18(17)21(23)26/h7-8,12-13,16H,1-6,9-11,14-15H2,(H,22,24)
InChIKeyRNTWHTNBTHSSRT-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.68
Rot. Bonds8

About N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide

N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide (PubChem CID 3148604) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide.

Molecular Properties

Compound NameN-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide
PubChem CID3148604
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide
SMILESO=C(CCCCCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1
InChIInChI=1S/C21H28N2O3/c24-19(22-16-10-4-3-5-11-16)14-6-1-2-9-15-23-20(25)17-12-7-8-13-18(17)21(23)26/h7-8,12-13,16H,1-6,9-11,14-15H2,(H,22,24)
InChIKeyRNTWHTNBTHSSRT-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide?
The IUPAC name of N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide (CID 3148604) is N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide.
What is the SMILES notation for N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide?
The canonical SMILES for N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide is O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide?
The InChIKey is RNTWHTNBTHSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19(22-16-10-4-3-5-11-16)14-6-1-2-9-15-23-20(25)17-12-7-8-13-18(17)21(23)26/h7-8,12-13,16H,1-6,9-11,14-15H2,(H,22,24).
What are the key properties of N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide?
N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide has a molecular weight of 356.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide is sourced from PubChem (CID 3148604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).