N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide

About N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide

N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide (PubChem CID 91411422) has the molecular formula C26H47N3O8 and a molecular weight of 529.68 g/mol. Its IUPAC name is N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide.

Molecular Properties

Compound Name	N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
PubChem CID	91411422
Molecular Formula	C26H47N3O8
Molecular Weight	529.68 g/mol
Exact Mass	529.34
IUPAC Name	N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
SMILES	CCc1cc(O)n(CCCC(=O)NCCOCCOCCNC(=O)C(C)(C)OCCC(C)(C)OC)c1O
InChI	InChI=1S/C26H47N3O8/c1-7-20-19-22(31)29(23(20)32)13-8-9-21(30)27-11-15-35-17-18-36-16-12-28-24(33)26(4,5)37-14-10-25(2,3)34-6/h19,31-32H,7-18H2,1-6H3,(H,27,30)(H,28,33)
InChIKey	WGJSYPLJKNSKDE-UHFFFAOYSA-N
XLogP	2.12
TPSA	140.51 Å²
H-Bond Donors	4
H-Bond Acceptors	9
Rotatable Bonds	20
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.68
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide?

The IUPAC name of N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide (CID 91411422) is N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide.

What is the SMILES notation for N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide?

The canonical SMILES for N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide is CCc1cc(O)n(CCCC(=O)NCCOCCOCCNC(=O)C(C)(C)OCCC(C)(C)OC)c1O.

What is the InChIKey of N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide?

The InChIKey is WGJSYPLJKNSKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O8/c1-7-20-19-22(31)29(23(20)32)13-8-9-21(30)27-11-15-35-17-18-36-16-12-28-24(33)26(4,5)37-14-10-25(2,3)34-6/h19,31-32H,7-18H2,1-6H3,(H,27,30)(H,28,33).

What are the key properties of N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide?

N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide has a molecular weight of 529.68 g/mol, XLogP of 2.12, 20 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide is sourced from PubChem (CID 91411422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).