N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide

C19H24N2O3 — CID 644725

IUPACN-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCCC1
InChIInChI=1S/C19H24N2O3/c22-17(20-14-8-3-4-9-14)12-2-1-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,1-4,7-9,12-13H2,(H,20,22)
InChIKeyMJWLPAVCJNZQGR-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.90
Rot. Bonds7

About N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide

N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide (PubChem CID 644725) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
PubChem CID644725
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCCC1
InChIInChI=1S/C19H24N2O3/c22-17(20-14-8-3-4-9-14)12-2-1-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,1-4,7-9,12-13H2,(H,20,22)
InChIKeyMJWLPAVCJNZQGR-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.90
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'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The IUPAC name of N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide (CID 644725) is N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide.
What is the SMILES notation for N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The canonical SMILES for N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The InChIKey is MJWLPAVCJNZQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17(20-14-8-3-4-9-14)12-2-1-7-13-21-18(23)15-10-5-6-11-16(15)19(21)24/h5-6,10-11,14H,1-4,7-9,12-13H2,(H,20,22).
What are the key properties of N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide?
N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide has a molecular weight of 328.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide is sourced from PubChem (CID 644725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).