(2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate

C23H42N2O4 — CID 21483761

IUPAC(2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(28)29-25-21(26)18-19-22(25)27/h2-20H2,1H3,(H,24,28)
InChIKeyABXPCBNZIPHVJZ-UHFFFAOYSA-N
MW410.60 g/mol
LogP6.04
Rot. Bonds18

About (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate

(2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate (PubChem CID 21483761) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate
PubChem CID21483761
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(28)29-25-21(26)18-19-22(25)27/h2-20H2,1H3,(H,24,28)
InChIKeyABXPCBNZIPHVJZ-UHFFFAOYSA-N
XLogP6.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 56.04
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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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate (CID 21483761) is (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate is CCCCCCCCCCCCCCCCCCNC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate?
The InChIKey is ABXPCBNZIPHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(28)29-25-21(26)18-19-22(25)27/h2-20H2,1H3,(H,24,28).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate?
(2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate has a molecular weight of 410.60 g/mol, XLogP of 6.04, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-octadecylcarbamate is sourced from PubChem (CID 21483761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).