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

C19H20N2O4 — CID 647827

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccco1
InChIInChI=1S/C19H20N2O4/c22-17(20-13-14-7-6-12-25-14)10-2-1-5-11-21-18(23)15-8-3-4-9-16(15)19(21)24/h3-4,6-9,12H,1-2,5,10-11,13H2,(H,20,22)
InChIKeyVQAUZYZVDDQEIQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.75
Rot. Bonds8

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

6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide (PubChem CID 647827) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
PubChem CID647827
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccco1
InChIInChI=1S/C19H20N2O4/c22-17(20-13-14-7-6-12-25-14)10-2-1-5-11-21-18(23)15-8-3-4-9-16(15)19(21)24/h3-4,6-9,12H,1-2,5,10-11,13H2,(H,20,22)
InChIKeyVQAUZYZVDDQEIQ-UHFFFAOYSA-N
XLogP2.75
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994
6-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(furan-2-ylmethyl)hexanamide
CID 99988488
2-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 19572432
6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4639143
4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide
CID 91638441
O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(furan-2-ylmethyl)carbamothioate
CID 42603608
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 110343476
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110731979
N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
CID 126468841

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide (CID 647827) is 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccco1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide?
The InChIKey is VQAUZYZVDDQEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17(20-13-14-7-6-12-25-14)10-2-1-5-11-21-18(23)15-8-3-4-9-16(15)19(21)24/h3-4,6-9,12H,1-2,5,10-11,13H2,(H,20,22).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide has a molecular weight of 340.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide is sourced from PubChem (CID 647827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).