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

C14H23N3O4 — CID 170538624

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide
SMILESCC(C)NCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23N3O4/c1-11(2)15-6-9-21-10-7-16-12(18)5-8-17-13(19)3-4-14(17)20/h3-4,11,15H,5-10H2,1-2H3,(H,16,18)
InChIKeyKXGNVLUTKFWPKD-UHFFFAOYSA-N
MW297.35 g/mol
LogP-0.57
Rot. Bonds10

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide (PubChem CID 170538624) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide
PubChem CID170538624
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide
SMILESCC(C)NCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23N3O4/c1-11(2)15-6-9-21-10-7-16-12(18)5-8-17-13(19)3-4-14(17)20/h3-4,11,15H,5-10H2,1-2H3,(H,16,18)
InChIKeyKXGNVLUTKFWPKD-UHFFFAOYSA-N
XLogP-0.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.57
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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Related Compounds

3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
Poly(oxy-1,2-ethanediyl), I+/--[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]propyl]-I-methoxy-
CID 58005097
N,N'-((Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide)
CID 59628078
alpha-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethyl]-omega-hydroxypoly(oxy-1,2-ethanediyl)
CID 68311348
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
CID 18345573
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 22961656
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
mPEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide
CID 54479813
1-[3-(2-Ethoxyethylamino)propyl]pyrrole-2,5-dione
CID 57573729

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide (CID 170538624) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide is CC(C)NCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide?
The InChIKey is KXGNVLUTKFWPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-11(2)15-6-9-21-10-7-16-12(18)5-8-17-13(19)3-4-14(17)20/h3-4,11,15H,5-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide has a molecular weight of 297.35 g/mol, XLogP of -0.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide is sourced from PubChem (CID 170538624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).