2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide

C25H43N3O7 — CID 91567791

IUPAC2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide
SMILESC=C1C=CC(=O)N1CCCC(=O)NCCOCCOCCNC(=O)C(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C25H43N3O7/c1-20-9-10-22(30)28(20)14-7-8-21(29)26-12-16-33-18-19-34-17-13-27-23(31)25(4,5)35-15-11-24(2,3)32-6/h9-10H,1,7-8,11-19H2,2-6H3,(H,26,29)(H,27,31)
InChIKeyYZDKMNVGEOTAFR-UHFFFAOYSA-N
MW497.63 g/mol
LogP1.55
Rot. Bonds19

About 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide

2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 91567791) has the molecular formula C25H43N3O7 and a molecular weight of 497.63 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide
PubChem CID91567791
Molecular FormulaC25H43N3O7
Molecular Weight497.63 g/mol
Exact Mass497.31
IUPAC Name2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide
SMILESC=C1C=CC(=O)N1CCCC(=O)NCCOCCOCCNC(=O)C(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C25H43N3O7/c1-20-9-10-22(30)28(20)14-7-8-21(29)26-12-16-33-18-19-34-17-13-27-23(31)25(4,5)35-15-11-24(2,3)32-6/h9-10H,1,7-8,11-19H2,2-6H3,(H,26,29)(H,27,31)
InChIKeyYZDKMNVGEOTAFR-UHFFFAOYSA-N
XLogP1.55
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.63
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide (CID 91567791) is 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide is C=C1C=CC(=O)N1CCCC(=O)NCCOCCOCCNC(=O)C(C)(C)OCCC(C)(C)OC.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is YZDKMNVGEOTAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O7/c1-20-9-10-22(30)28(20)14-7-8-21(29)26-12-16-33-18-19-34-17-13-27-23(31)25(4,5)35-15-11-24(2,3)32-6/h9-10H,1,7-8,11-19H2,2-6H3,(H,26,29)(H,27,31).
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide?
2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 497.63 g/mol, XLogP of 1.55, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 91567791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).