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

C18H31N3O7 — CID 58537159

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCNCCOCCOCCOCCOCCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H31N3O7/c1-19-6-9-26-11-13-28-15-14-27-12-10-25-8-4-16(22)20-5-7-21-17(23)2-3-18(21)24/h2-3,19H,4-15H2,1H3,(H,20,22)
InChIKeyREDJUROKIVIBQB-UHFFFAOYSA-N
MW401.46 g/mol
LogP-1.30
Rot. Bonds18

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

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 58537159) has the molecular formula C18H31N3O7 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
PubChem CID58537159
Molecular FormulaC18H31N3O7
Molecular Weight401.46 g/mol
Exact Mass401.22
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCNCCOCCOCCOCCOCCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H31N3O7/c1-19-6-9-26-11-13-28-15-14-27-12-10-25-8-4-16(22)20-5-7-21-17(23)2-3-18(21)24/h2-3,19H,4-15H2,1H3,(H,20,22)
InChIKeyREDJUROKIVIBQB-UHFFFAOYSA-N
XLogP-1.30
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 5-1.30
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 N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 58537159) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide is CNCCOCCOCCOCCOCCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is REDJUROKIVIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O7/c1-19-6-9-26-11-13-28-15-14-27-12-10-25-8-4-16(22)20-5-7-21-17(23)2-3-18(21)24/h2-3,19H,4-15H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 401.46 g/mol, XLogP of -1.30, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 58537159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).