4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide

C17H27N3O7 — CID 58290201

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide
SMILESO=C(CCO)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H27N3O7/c21-9-5-15(23)19-7-11-27-13-12-26-10-6-18-14(22)2-1-8-20-16(24)3-4-17(20)25/h3-4,21H,1-2,5-13H2,(H,18,22)(H,19,23)
InChIKeyAWDLQXKIOARVRJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP-1.66
Rot. Bonds15

About 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide

4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide (PubChem CID 58290201) has the molecular formula C17H27N3O7 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide
PubChem CID58290201
Molecular FormulaC17H27N3O7
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide
SMILESO=C(CCO)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H27N3O7/c21-9-5-15(23)19-7-11-27-13-12-26-10-6-18-14(22)2-1-8-20-16(24)3-4-17(20)25/h3-4,21H,1-2,5-13H2,(H,18,22)(H,19,23)
InChIKeyAWDLQXKIOARVRJ-UHFFFAOYSA-N
XLogP-1.66
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 5-1.66
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide (CID 58290201) is 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide is O=C(CCO)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is AWDLQXKIOARVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O7/c21-9-5-15(23)19-7-11-27-13-12-26-10-6-18-14(22)2-1-8-20-16(24)3-4-17(20)25/h3-4,21H,1-2,5-13H2,(H,18,22)(H,19,23).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 385.42 g/mol, XLogP of -1.66, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 58290201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).