3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide

C14H22N4O5 — CID 58747553

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide
SMILESCCNNC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N4O5/c1-2-16-17-12(20)6-9-23-10-7-15-11(19)5-8-18-13(21)3-4-14(18)22/h3-4,16H,2,5-10H2,1H3,(H,15,19)(H,17,20)
InChIKeyJQBWCXMNAKROLA-UHFFFAOYSA-N
MW326.35 g/mol
LogP-1.53
Rot. Bonds11

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide (PubChem CID 58747553) has the molecular formula C14H22N4O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide
PubChem CID58747553
Molecular FormulaC14H22N4O5
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide
SMILESCCNNC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N4O5/c1-2-16-17-12(20)6-9-23-10-7-15-11(19)5-8-18-13(21)3-4-14(18)22/h3-4,16H,2,5-10H2,1H3,(H,15,19)(H,17,20)
InChIKeyJQBWCXMNAKROLA-UHFFFAOYSA-N
XLogP-1.53
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide (CID 58747553) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide is CCNNC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide?
The InChIKey is JQBWCXMNAKROLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5/c1-2-16-17-12(20)6-9-23-10-7-15-11(19)5-8-18-13(21)3-4-14(18)22/h3-4,16H,2,5-10H2,1H3,(H,15,19)(H,17,20).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide has a molecular weight of 326.35 g/mol, XLogP of -1.53, 11 rotatable bonds, 3 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-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide is sourced from PubChem (CID 58747553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).