6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide

C14H21N3O4 — CID 58112370

IUPAC6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide
SMILESCNC(=O)CCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O4/c1-15-11(18)5-3-2-4-9-16-12(19)8-10-17-13(20)6-7-14(17)21/h6-7H,2-5,8-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyMBAWGYNZUFBZIA-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.28
Rot. Bonds9

About 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide

6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide (PubChem CID 58112370) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide.

Molecular Properties

Compound Name6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide
PubChem CID58112370
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide
SMILESCNC(=O)CCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O4/c1-15-11(18)5-3-2-4-9-16-12(19)8-10-17-13(20)6-7-14(17)21/h6-7H,2-5,8-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyMBAWGYNZUFBZIA-UHFFFAOYSA-N
XLogP-0.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.28
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-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide?
The IUPAC name of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide (CID 58112370) is 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide.
What is the SMILES notation for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide?
The canonical SMILES for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide is CNC(=O)CCCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide?
The InChIKey is MBAWGYNZUFBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-15-11(18)5-3-2-4-9-16-12(19)8-10-17-13(20)6-7-14(17)21/h6-7H,2-5,8-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide?
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide has a molecular weight of 295.34 g/mol, XLogP of -0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide is sourced from PubChem (CID 58112370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).