4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide

C19H31N3O8 — CID 58340915

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide
SMILESCOCCOCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C19H31N3O8/c1-27-11-12-30-15-17(24)21-7-10-29-14-13-28-9-6-20-16(23)3-2-8-22-18(25)4-5-19(22)26/h4-5H,2-3,6-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyFGELOPQIKFCGOP-UHFFFAOYSA-N
MW429.47 g/mol
LogP-1.38
Rot. Bonds18

About 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide

4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 58340915) has the molecular formula C19H31N3O8 and a molecular weight of 429.47 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide
PubChem CID58340915
Molecular FormulaC19H31N3O8
Molecular Weight429.47 g/mol
Exact Mass429.21
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide
SMILESCOCCOCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C19H31N3O8/c1-27-11-12-30-15-17(24)21-7-10-29-14-13-28-9-6-20-16(23)3-2-8-22-18(25)4-5-19(22)26/h4-5H,2-3,6-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyFGELOPQIKFCGOP-UHFFFAOYSA-N
XLogP-1.38
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide (CID 58340915) is 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide is COCCOCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is FGELOPQIKFCGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O8/c1-27-11-12-30-15-17(24)21-7-10-29-14-13-28-9-6-20-16(23)3-2-8-22-18(25)4-5-19(22)26/h4-5H,2-3,6-15H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 429.47 g/mol, XLogP of -1.38, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 58340915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).