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

C18H30N4O7 — CID 22964483

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCNCCNC(=O)COCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N4O7/c1-19-5-6-20-16(24)14-29-13-12-28-11-10-27-9-7-21-15(23)4-8-22-17(25)2-3-18(22)26/h2-3,19H,4-14H2,1H3,(H,20,24)(H,21,23)
InChIKeyHNLQIWRAVGOZCE-UHFFFAOYSA-N
MW414.46 g/mol
LogP-2.20
Rot. Bonds17

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 22964483) has the molecular formula C18H30N4O7 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID22964483
Molecular FormulaC18H30N4O7
Molecular Weight414.46 g/mol
Exact Mass414.21
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCNCCNC(=O)COCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N4O7/c1-19-5-6-20-16(24)14-29-13-12-28-11-10-27-9-7-21-15(23)4-8-22-17(25)2-3-18(22)26/h2-3,19H,4-14H2,1H3,(H,20,24)(H,21,23)
InChIKeyHNLQIWRAVGOZCE-UHFFFAOYSA-N
XLogP-2.20
TPSA135.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
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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Related Compounds

3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
2-(2-(2-((3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl)amino)ethoxy)ethoxy)acetic acid
CID 91667273
N,N'-((Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide)
CID 59628078
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
CID 18345573
6-[[2-[2-[2-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide
CID 20710719
N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide
CID 21299428
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 22961656
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
m-PEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(methylamino)-2-oxoethoxy]ethyl]propanamide
CID 57648845

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 22964483) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide is CNCCNC(=O)COCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is HNLQIWRAVGOZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O7/c1-19-5-6-20-16(24)14-29-13-12-28-11-10-27-9-7-21-15(23)4-8-22-17(25)2-3-18(22)26/h2-3,19H,4-14H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 414.46 g/mol, XLogP of -2.20, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 22964483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).