3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide

C18H30N2O5 — CID 123344292

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide
SMILESCOC(C)(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O5/c1-17(2,24-5)10-13-25-18(3,4)9-11-19-14(21)8-12-20-15(22)6-7-16(20)23/h6-7H,8-13H2,1-5H3,(H,19,21)
InChIKeyTTZFLYMZBXGMLH-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.42
Rot. Bonds11

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide (PubChem CID 123344292) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide
PubChem CID123344292
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide
SMILESCOC(C)(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O5/c1-17(2,24-5)10-13-25-18(3,4)9-11-19-14(21)8-12-20-15(22)6-7-16(20)23/h6-7H,8-13H2,1-5H3,(H,19,21)
InChIKeyTTZFLYMZBXGMLH-UHFFFAOYSA-N
XLogP1.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide (CID 123344292) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide is COC(C)(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide?
The InChIKey is TTZFLYMZBXGMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-17(2,24-5)10-13-25-18(3,4)9-11-19-14(21)8-12-20-15(22)6-7-16(20)23/h6-7H,8-13H2,1-5H3,(H,19,21).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]propanamide is sourced from PubChem (CID 123344292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).