6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide

C15H23N3O4 — CID 20719177

IUPAC6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide
SMILESCNC(=O)CCCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23N3O4/c1-16-12(19)6-3-2-4-10-17-13(20)7-5-11-18-14(21)8-9-15(18)22/h8-9H,2-7,10-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyRFDHIHHWDCSIER-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.11
Rot. Bonds10

About 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide

6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide (PubChem CID 20719177) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide.

Molecular Properties

Compound Name6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide
PubChem CID20719177
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide
SMILESCNC(=O)CCCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23N3O4/c1-16-12(19)6-3-2-4-10-17-13(20)7-5-11-18-14(21)8-9-15(18)22/h8-9H,2-7,10-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyRFDHIHHWDCSIER-UHFFFAOYSA-N
XLogP0.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.11
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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide?
The IUPAC name of 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide (CID 20719177) is 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide.
What is the SMILES notation for 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide?
The canonical SMILES for 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide is CNC(=O)CCCCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide?
The InChIKey is RFDHIHHWDCSIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-16-12(19)6-3-2-4-10-17-13(20)7-5-11-18-14(21)8-9-15(18)22/h8-9H,2-7,10-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide?
6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide has a molecular weight of 309.37 g/mol, XLogP of 0.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide is sourced from PubChem (CID 20719177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).