11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide

C24H30N2O4 — CID 8796994

IUPAC11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
SMILESO=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)NCc1ccco1
InChIInChI=1S/C24H30N2O4/c27-22(25-18-19-12-11-17-30-19)15-7-5-3-1-2-4-6-10-16-26-23(28)20-13-8-9-14-21(20)24(26)29/h8-9,11-14,17H,1-7,10,15-16,18H2,(H,25,27)
InChIKeyHRJGVJGOFVTMHX-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.70
Rot. Bonds13

About 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide

11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide (PubChem CID 8796994) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide.

Molecular Properties

Compound Name11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
PubChem CID8796994
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
SMILESO=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)NCc1ccco1
InChIInChI=1S/C24H30N2O4/c27-22(25-18-19-12-11-17-30-19)15-7-5-3-1-2-4-6-10-16-26-23(28)20-13-8-9-14-21(20)24(26)29/h8-9,11-14,17H,1-7,10,15-16,18H2,(H,25,27)
InChIKeyHRJGVJGOFVTMHX-UHFFFAOYSA-N
XLogP4.70
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.70
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

6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
CID 647827
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 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide?
The IUPAC name of 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide (CID 8796994) is 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide.
What is the SMILES notation for 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide?
The canonical SMILES for 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide is O=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)NCc1ccco1.
What is the InChIKey of 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide?
The InChIKey is HRJGVJGOFVTMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c27-22(25-18-19-12-11-17-30-19)15-7-5-3-1-2-4-6-10-16-26-23(28)20-13-8-9-14-21(20)24(26)29/h8-9,11-14,17H,1-7,10,15-16,18H2,(H,25,27).
What are the key properties of 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide?
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide has a molecular weight of 410.51 g/mol, XLogP of 4.70, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide is sourced from PubChem (CID 8796994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).