4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide

C26H35N3O7 — CID 155057033

IUPAC4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc(OCC(=O)NCCCCCCCCCC=O)c2C1=O
InChIInChI=1S/C26H35N3O7/c1-19(13-14-22(32)28-18-31)29-25(34)20-11-10-12-21(24(20)26(29)35)36-17-23(33)27-15-8-6-4-2-3-5-7-9-16-30/h10-12,16,18-19H,2-9,13-15,17H2,1H3,(H,27,33)(H,28,31,32)
InChIKeyPFXFHKOZGJWAJO-UHFFFAOYSA-N
MW501.58 g/mol
LogP2.54
Rot. Bonds18

About 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide

4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide (PubChem CID 155057033) has the molecular formula C26H35N3O7 and a molecular weight of 501.58 g/mol. Its IUPAC name is 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide.

Molecular Properties

Compound Name4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide
PubChem CID155057033
Molecular FormulaC26H35N3O7
Molecular Weight501.58 g/mol
Exact Mass501.25
IUPAC Name4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide
SMILESCC(CCC(=O)NC=O)N1C(=O)c2cccc(OCC(=O)NCCCCCCCCCC=O)c2C1=O
InChIInChI=1S/C26H35N3O7/c1-19(13-14-22(32)28-18-31)29-25(34)20-11-10-12-21(24(20)26(29)35)36-17-23(33)27-15-8-6-4-2-3-5-7-9-16-30/h10-12,16,18-19H,2-9,13-15,17H2,1H3,(H,27,33)(H,28,31,32)
InChIKeyPFXFHKOZGJWAJO-UHFFFAOYSA-N
XLogP2.54
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide?
The IUPAC name of 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide (CID 155057033) is 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide.
What is the SMILES notation for 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide?
The canonical SMILES for 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide is CC(CCC(=O)NC=O)N1C(=O)c2cccc(OCC(=O)NCCCCCCCCCC=O)c2C1=O.
What is the InChIKey of 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide?
The InChIKey is PFXFHKOZGJWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O7/c1-19(13-14-22(32)28-18-31)29-25(34)20-11-10-12-21(24(20)26(29)35)36-17-23(33)27-15-8-6-4-2-3-5-7-9-16-30/h10-12,16,18-19H,2-9,13-15,17H2,1H3,(H,27,33)(H,28,31,32).
What are the key properties of 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide?
4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide has a molecular weight of 501.58 g/mol, XLogP of 2.54, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-dioxo-4-[2-oxo-2-(10-oxodecylamino)ethoxy]isoindol-2-yl]-N-formylpentanamide is sourced from PubChem (CID 155057033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).