1-(hexadecylamino)pyrrole-2,5-dione

C20H36N2O2 — CID 135205572

IUPAC1-(hexadecylamino)pyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCCNN1C(=O)C=CC1=O
InChIInChI=1S/C20H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-22-19(23)16-17-20(22)24/h16-17,21H,2-15,18H2,1H3
InChIKeyYSIBGJIRQXYLSR-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.90
Rot. Bonds16

About 1-(hexadecylamino)pyrrole-2,5-dione

1-(hexadecylamino)pyrrole-2,5-dione (PubChem CID 135205572) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(hexadecylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(hexadecylamino)pyrrole-2,5-dione
PubChem CID135205572
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name1-(hexadecylamino)pyrrole-2,5-dione
SMILESCCCCCCCCCCCCCCCCNN1C(=O)C=CC1=O
InChIInChI=1S/C20H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-22-19(23)16-17-20(22)24/h16-17,21H,2-15,18H2,1H3
InChIKeyYSIBGJIRQXYLSR-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.90
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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Related Compounds

1-[6-[(2,5-Dioxopyrrol-1-yl)amino]hexylamino]pyrrole-2,5-dione
CID 20209697
1-(Dioctylamino)pyrrole-2,5-dione
CID 21918144
1-(Butylamino)pyrrole-2,5-dione
CID 23354887
1-(Hexylamino)pyrrole-2,5-dione;hydrochloride
CID 68628926
1-(Hexylamino)pyrrole-2,5-dione
CID 68628927
1-(Cyclodecylamino)pyrrole-2,5-dione
CID 118508197
1-(Cycloundecylamino)pyrrole-2,5-dione
CID 118508326
1-(Cyclononylamino)pyrrole-2,5-dione
CID 126728799
1-(Cyclooctylamino)pyrrole-2,5-dione
CID 134377096
Hexadecan-1-amine;pyrrole-2,5-dione
CID 135205573
Hexylhydrazine;pyrrole-2,5-dione
CID 161094680
1-[Amino(hexyl)amino]pyrrole-2,5-dione
CID 169765016

Frequently Asked Questions

What is the IUPAC name of 1-(hexadecylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(hexadecylamino)pyrrole-2,5-dione (CID 135205572) is 1-(hexadecylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(hexadecylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(hexadecylamino)pyrrole-2,5-dione is CCCCCCCCCCCCCCCCNN1C(=O)C=CC1=O.
What is the InChIKey of 1-(hexadecylamino)pyrrole-2,5-dione?
The InChIKey is YSIBGJIRQXYLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-22-19(23)16-17-20(22)24/h16-17,21H,2-15,18H2,1H3.
What are the key properties of 1-(hexadecylamino)pyrrole-2,5-dione?
1-(hexadecylamino)pyrrole-2,5-dione has a molecular weight of 336.52 g/mol, XLogP of 4.90, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexadecylamino)pyrrole-2,5-dione is sourced from PubChem (CID 135205572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).