3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide

C14H23N3O3 — CID 22964484

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide
SMILESCNCCCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23N3O3/c1-15-9-4-2-3-5-10-16-12(18)8-11-17-13(19)6-7-14(17)20/h6-7,15H,2-5,8-11H2,1H3,(H,16,18)
InChIKeyQTYYQXCWSBPHAM-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.20
Rot. Bonds10

About 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide (PubChem CID 22964484) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide
PubChem CID22964484
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide
SMILESCNCCCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23N3O3/c1-15-9-4-2-3-5-10-16-12(18)8-11-17-13(19)6-7-14(17)20/h6-7,15H,2-5,8-11H2,1H3,(H,16,18)
InChIKeyQTYYQXCWSBPHAM-UHFFFAOYSA-N
XLogP0.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
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

1-(5-aminopentyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 23354886
1-(6-aminohexyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 23054408
1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944
1-(6-aminohexyl)-1H-pyrrole-2,5-dione
CID 23054403
N'-bisacryloylhexamethylene diamine
CID 22610646
Maleimide-(CH2)5-CONH-CH2CH2NH2
CID 85794122
(E)-N'-hexylbut-2-enediamide
CID 170849793
(E)-N,N'-dihexylbut-2-enediamide
CID 139188307
6-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexanamide
CID 4568604
1-[3-(Ethylamino)propyl]pyrrole-2,5-dione
CID 12858660
6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 18671257
(E)-N-(5-acetamidopentyl)but-2-enamide
CID 18684522

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide (CID 22964484) is 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide is CNCCCCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide?
The InChIKey is QTYYQXCWSBPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-15-9-4-2-3-5-10-16-12(18)8-11-17-13(19)6-7-14(17)20/h6-7,15H,2-5,8-11H2,1H3,(H,16,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide has a molecular weight of 281.36 g/mol, XLogP of 0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide is sourced from PubChem (CID 22964484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).