3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide

C28H51N3O11 — CID 90437458

IUPAC3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide
SMILESCNCCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C28H51N3O11/c1-29-7-2-3-8-30-26(32)6-10-35-12-14-37-16-18-39-20-22-41-24-25-42-23-21-40-19-17-38-15-13-36-11-9-31-27(33)4-5-28(31)34/h4-5,29H,2-3,6-25H2,1H3,(H,30,32)
InChIKeySIBWYSLDNBQZDL-UHFFFAOYSA-N
MW605.73 g/mol
LogP-0.45
Rot. Bonds32

About 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide

3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide (PubChem CID 90437458) has the molecular formula C28H51N3O11 and a molecular weight of 605.73 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide
PubChem CID90437458
Molecular FormulaC28H51N3O11
Molecular Weight605.73 g/mol
Exact Mass605.35
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide
SMILESCNCCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C28H51N3O11/c1-29-7-2-3-8-30-26(32)6-10-35-12-14-37-16-18-39-20-22-41-24-25-42-23-21-40-19-17-38-15-13-36-11-9-31-27(33)4-5-28(31)34/h4-5,29H,2-3,6-25H2,1H3,(H,30,32)
InChIKeySIBWYSLDNBQZDL-UHFFFAOYSA-N
XLogP-0.45
TPSA152.35 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.73
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide (CID 90437458) is 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide is CNCCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide?
The InChIKey is SIBWYSLDNBQZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N3O11/c1-29-7-2-3-8-30-26(32)6-10-35-12-14-37-16-18-39-20-22-41-24-25-42-23-21-40-19-17-38-15-13-36-11-9-31-27(33)4-5-28(31)34/h4-5,29H,2-3,6-25H2,1H3,(H,30,32).
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide?
3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide has a molecular weight of 605.73 g/mol, XLogP of -0.45, 32 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-(methylamino)butyl]propanamide is sourced from PubChem (CID 90437458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).