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

C14H21N3O6 — CID 59663957

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide
SMILESCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O6/c1-15-12(19)10-23-9-8-22-7-5-16-11(18)4-6-17-13(20)2-3-14(17)21/h2-3H,4-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyNZMVUIAYMBIPEV-UHFFFAOYSA-N
MW327.34 g/mol
LogP-1.80
Rot. Bonds11

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide (PubChem CID 59663957) has the molecular formula C14H21N3O6 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide
PubChem CID59663957
Molecular FormulaC14H21N3O6
Molecular Weight327.34 g/mol
Exact Mass327.14
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide
SMILESCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O6/c1-15-12(19)10-23-9-8-22-7-5-16-11(18)4-6-17-13(20)2-3-14(17)21/h2-3H,4-10H2,1H3,(H,15,19)(H,16,18)
InChIKeyNZMVUIAYMBIPEV-UHFFFAOYSA-N
XLogP-1.80
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide (CID 59663957) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide is CNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide?
The InChIKey is NZMVUIAYMBIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O6/c1-15-12(19)10-23-9-8-22-7-5-16-11(18)4-6-17-13(20)2-3-14(17)21/h2-3H,4-10H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide has a molecular weight of 327.34 g/mol, XLogP of -1.80, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 59663957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).