3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide

C17H29N3O4 — CID 170538630

IUPAC3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide
SMILESCC(C)NCCOCCNC(=O)CCN1C(=O)C=C(C(C)C)C1=O
InChIInChI=1S/C17H29N3O4/c1-12(2)14-11-16(22)20(17(14)23)8-5-15(21)19-7-10-24-9-6-18-13(3)4/h11-13,18H,5-10H2,1-4H3,(H,19,21)
InChIKeyVJFJGCGLJJKEST-UHFFFAOYSA-N
MW339.44 g/mol
LogP0.46
Rot. Bonds11

About 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide

3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide (PubChem CID 170538630) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide
PubChem CID170538630
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide
SMILESCC(C)NCCOCCNC(=O)CCN1C(=O)C=C(C(C)C)C1=O
InChIInChI=1S/C17H29N3O4/c1-12(2)14-11-16(22)20(17(14)23)8-5-15(21)19-7-10-24-9-6-18-13(3)4/h11-13,18H,5-10H2,1-4H3,(H,19,21)
InChIKeyVJFJGCGLJJKEST-UHFFFAOYSA-N
XLogP0.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide (CID 170538630) is 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide is CC(C)NCCOCCNC(=O)CCN1C(=O)C=C(C(C)C)C1=O.
What is the InChIKey of 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide?
The InChIKey is VJFJGCGLJJKEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12(2)14-11-16(22)20(17(14)23)8-5-15(21)19-7-10-24-9-6-18-13(3)4/h11-13,18H,5-10H2,1-4H3,(H,19,21).
What are the key properties of 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide?
3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 0.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide is sourced from PubChem (CID 170538630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).