5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide

C15H23N3O4 — CID 58370728

IUPAC5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23N3O4/c1-11(2)17-13(20)5-3-4-9-16-12(19)8-10-18-14(21)6-7-15(18)22/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUOFVFCVWNRFJDJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.11
Rot. Bonds9

About 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide

5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide (PubChem CID 58370728) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide
PubChem CID58370728
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23N3O4/c1-11(2)17-13(20)5-3-4-9-16-12(19)8-10-18-14(21)6-7-15(18)22/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUOFVFCVWNRFJDJ-UHFFFAOYSA-N
XLogP0.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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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Related Compounds

N-(5,6-Diamino-6-oxohexyl)-2,5-dihydro-2,5-dioxo-1H-pyrrole-1-propanamide, (S)-
CID 57832067
N-[3-(dimethylamino)-prolyl]acrylamide
CID 129762475
6-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 18671257
6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-ethylhexanamide
CID 18724283
3-(2,5-dioxopyrrol-1-yl)-N-[5-(methylamino)-6-oxo-6-thiophosphorosohexyl]propanamide
CID 20710718
6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-methylhexanamide
CID 20719177
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide
CID 20755665
5-(2,5-dioxopyrrol-1-yl)-N-methylpentanamide
CID 20760750
[6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-1-oxo-1-thiophosphorosohexan-2-yl]azanide
CID 21135496
N-(5-amino-6-oxo-6-thiophosphorosohexyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21135497
3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide
CID 21299484
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxoheptyl]propanamide
CID 21299485

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide?
The IUPAC name of 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide (CID 58370728) is 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide?
The canonical SMILES for 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide is CC(C)NC(=O)CCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide?
The InChIKey is UOFVFCVWNRFJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-11(2)17-13(20)5-3-4-9-16-12(19)8-10-18-14(21)6-7-15(18)22/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide?
5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide has a molecular weight of 309.37 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-propan-2-ylpentanamide is sourced from PubChem (CID 58370728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).