4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide

C14H21N3O5 — CID 58630004

IUPAC4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide
SMILESCC(C)C(=O)NCCNC(=O)CCCON1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-10(2)14(21)16-8-7-15-11(18)4-3-9-22-17-12(19)5-6-13(17)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyKUCOQZNDUWKHNS-UHFFFAOYSA-N
MW311.34 g/mol
LogP-0.49
Rot. Bonds9

About 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide

4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide (PubChem CID 58630004) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide
PubChem CID58630004
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide
SMILESCC(C)C(=O)NCCNC(=O)CCCON1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-10(2)14(21)16-8-7-15-11(18)4-3-9-22-17-12(19)5-6-13(17)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyKUCOQZNDUWKHNS-UHFFFAOYSA-N
XLogP-0.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.49
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-dioxopyrrol-1-yl)-N-[2-(ethoxyamino)ethyl]propanamide
CID 23526539
(2,5-Dioxopyrrol-1-yl) 4-[2-(2-methylpropanoylamino)ethylamino]-4-oxobutanoate
CID 58629999
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-methoxy-3-methylbutanamide
CID 90294840
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide
CID 21026682

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide (CID 58630004) is 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide is CC(C)C(=O)NCCNC(=O)CCCON1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide?
The InChIKey is KUCOQZNDUWKHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-10(2)14(21)16-8-7-15-11(18)4-3-9-22-17-12(19)5-6-13(17)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)(H,16,21).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide?
4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide has a molecular weight of 311.34 g/mol, XLogP of -0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)oxy-N-[2-(2-methylpropanoylamino)ethyl]butanamide is sourced from PubChem (CID 58630004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).