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

C17H29N3O6 — CID 123957132

IUPAC3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCN(C)C(=O)CCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H29N3O6/c1-18-6-7-19(2)15(21)5-9-24-11-13-26-14-12-25-10-8-20-16(22)3-4-17(20)23/h3-4,18H,5-14H2,1-2H3
InChIKeyBCHWDUUNOBTEOI-UHFFFAOYSA-N
MW371.43 g/mol
LogP-0.97
Rot. Bonds15

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

3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide (PubChem CID 123957132) has the molecular formula C17H29N3O6 and a molecular weight of 371.43 g/mol. Its IUPAC name is 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide
PubChem CID123957132
Molecular FormulaC17H29N3O6
Molecular Weight371.43 g/mol
Exact Mass371.21
IUPAC Name3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCN(C)C(=O)CCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H29N3O6/c1-18-6-7-19(2)15(21)5-9-24-11-13-26-14-12-25-10-8-20-16(22)3-4-17(20)23/h3-4,18H,5-14H2,1-2H3
InChIKeyBCHWDUUNOBTEOI-UHFFFAOYSA-N
XLogP-0.97
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide (CID 123957132) is 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide is CNCCN(C)C(=O)CCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is BCHWDUUNOBTEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O6/c1-18-6-7-19(2)15(21)5-9-24-11-13-26-14-12-25-10-8-20-16(22)3-4-17(20)23/h3-4,18H,5-14H2,1-2H3.
What are the key properties of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide?
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 371.43 g/mol, XLogP of -0.97, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 123957132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).