3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide

C17H27N3O7 — CID 58571180

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide
SMILESCC(CN1C(=O)C=CC1=O)C(=O)NCCOCCOCCNC(=O)CCO
InChIInChI=1S/C17H27N3O7/c1-13(12-20-15(23)2-3-16(20)24)17(25)19-6-9-27-11-10-26-8-5-18-14(22)4-7-21/h2-3,13,21H,4-12H2,1H3,(H,18,22)(H,19,25)
InChIKeyDQMSALFXVRHCCJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP-1.80
Rot. Bonds14

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide (PubChem CID 58571180) has the molecular formula C17H27N3O7 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide
PubChem CID58571180
Molecular FormulaC17H27N3O7
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide
SMILESCC(CN1C(=O)C=CC1=O)C(=O)NCCOCCOCCNC(=O)CCO
InChIInChI=1S/C17H27N3O7/c1-13(12-20-15(23)2-3-16(20)24)17(25)19-6-9-27-11-10-26-8-5-18-14(22)4-7-21/h2-3,13,21H,4-12H2,1H3,(H,18,22)(H,19,25)
InChIKeyDQMSALFXVRHCCJ-UHFFFAOYSA-N
XLogP-1.80
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
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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Related Compounds

19-Maleimido-17-oxo-4,7,10,13-tetraoxa-16-azanonadecanoic Acid
CID 51340949
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
3-[2-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]ethoxy]propanoic acid
CID 24768092
alpha-[2-[[3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethyl]-omega-hydroxypoly(oxy-1,2-ethanediyl)
CID 68311348
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(methylideneamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 178101958
Mal-amido-PEG8-acid
CID 51340955
mPEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide
CID 58112360
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide
CID 58290201
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 58537159
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 58749047

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide (CID 58571180) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide is CC(CN1C(=O)C=CC1=O)C(=O)NCCOCCOCCNC(=O)CCO.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide?
The InChIKey is DQMSALFXVRHCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O7/c1-13(12-20-15(23)2-3-16(20)24)17(25)19-6-9-27-11-10-26-8-5-18-14(22)4-7-21/h2-3,13,21H,4-12H2,1H3,(H,18,22)(H,19,25).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide has a molecular weight of 385.42 g/mol, XLogP of -1.80, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-2-methylpropanamide is sourced from PubChem (CID 58571180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).