1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione

C20H29N3O4 — CID 22722392

IUPAC1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione
SMILESCCCCCC(NC(CCCCC)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C20H29N3O4/c1-3-5-7-9-15(22-17(24)11-12-18(22)25)21-16(10-8-6-4-2)23-19(26)13-14-20(23)27/h11-16,21H,3-10H2,1-2H3
InChIKeyBYWPCKFRWVQQMA-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.24
Rot. Bonds12

About 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione

1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione (PubChem CID 22722392) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione
PubChem CID22722392
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione
SMILESCCCCCC(NC(CCCCC)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C20H29N3O4/c1-3-5-7-9-15(22-17(24)11-12-18(22)25)21-16(10-8-6-4-2)23-19(26)13-14-20(23)27/h11-16,21H,3-10H2,1-2H3
InChIKeyBYWPCKFRWVQQMA-UHFFFAOYSA-N
XLogP2.24
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
1-(1-hydroxyhexyl)pyrrole-2,5-dione
CID 121483359
2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-dioxopyrrol-1-yl)undecanoic acid
CID 18477222
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride
CID 86594965
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
1-(4-methyldodecyl)pyrrole-2,5-dione
CID 70003100
calcium;2-(2,5-dioxopyrrol-1-yl)undecanoate;prop-2-enoate
CID 66635943
zinc;2-(2,5-dioxopyrrol-1-yl)undecanoate;prop-2-enoate
CID 66635941
3-methyl-1-octan-2-ylpyrrole-2,5-dione
CID 60976981
1-(hexylamino)pyrrole-2,5-dione
CID 68628927

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione (CID 22722392) is 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione is CCCCCC(NC(CCCCC)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione?
The InChIKey is BYWPCKFRWVQQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-3-5-7-9-15(22-17(24)11-12-18(22)25)21-16(10-8-6-4-2)23-19(26)13-14-20(23)27/h11-16,21H,3-10H2,1-2H3.
What are the key properties of 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione?
1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione has a molecular weight of 375.47 g/mol, XLogP of 2.24, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione is sourced from PubChem (CID 22722392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).