6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide

C17H25N3O4 — CID 18671257

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
SMILESC=C(C)C(=O)NCCCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H25N3O4/c1-13(2)17(24)19-11-6-10-18-14(21)7-4-3-5-12-20-15(22)8-9-16(20)23/h8-9H,1,3-7,10-12H2,2H3,(H,18,21)(H,19,24)
InChIKeyJGUSMFZOEBNHOC-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.67
Rot. Bonds11

About 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide

6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide (PubChem CID 18671257) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
PubChem CID18671257
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
SMILESC=C(C)C(=O)NCCCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H25N3O4/c1-13(2)17(24)19-11-6-10-18-14(21)7-4-3-5-12-20-15(22)8-9-16(20)23/h8-9H,1,3-7,10-12H2,2H3,(H,18,21)(H,19,24)
InChIKeyJGUSMFZOEBNHOC-UHFFFAOYSA-N
XLogP0.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Maleimide-(CH2)5-CONH-CH2CH2NH2
CID 85794122
6-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexanamide
CID 4568604
6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-ethylhexanamide
CID 18724283
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide
CID 20719177
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide
CID 22964484
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide
CID 23516853
3-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-6-oxo-6-thiophosphorosohexyl)propanamide
CID 23526541
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-methylhexanamide
CID 23526544
12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide
CID 58066928

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide (CID 18671257) is 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide is C=C(C)C(=O)NCCCNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide?
The InChIKey is JGUSMFZOEBNHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-13(2)17(24)19-11-6-10-18-14(21)7-4-3-5-12-20-15(22)8-9-16(20)23/h8-9H,1,3-7,10-12H2,2H3,(H,18,21)(H,19,24).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide has a molecular weight of 335.40 g/mol, XLogP of 0.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide is sourced from PubChem (CID 18671257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).