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

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

2-(3-methoxy-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 143960063) has the molecular formula C25H43N3O7 and a molecular weight of 497.63 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name	2-(3-methoxy-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide
PubChem CID	143960063
Molecular Formula	C25H43N3O7
Molecular Weight	497.63 g/mol
Exact Mass	497.31
IUPAC Name	2-(3-methoxy-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide
SMILES	C=C1C=CC(=O)N1CCCC(=O)NCCOCCOCCNC(=O)C(C)(C)OCC(C)C(C)OC
InChI	InChI=1S/C25H43N3O7/c1-19(21(3)32-6)18-35-25(4,5)24(31)27-12-15-34-17-16-33-14-11-26-22(29)8-7-13-28-20(2)9-10-23(28)30/h9-10,19,21H,2,7-8,11-18H2,1,3-6H3,(H,26,29)(H,27,31)
InChIKey	BGIORJCKYJVASY-UHFFFAOYSA-N
XLogP	1.41
TPSA	115.43 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	19
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.63
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-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-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide (CID 143960063) is 2-(3-methoxy-2-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-2-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-2-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)OCC(C)C(C)OC.

What is the InChIKey of 2-(3-methoxy-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is BGIORJCKYJVASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O7/c1-19(21(3)32-6)18-35-25(4,5)24(31)27-12-15-34-17-16-33-14-11-26-22(29)8-7-13-28-20(2)9-10-23(28)30/h9-10,19,21H,2,7-8,11-18H2,1,3-6H3,(H,26,29)(H,27,31).

What are the key properties of 2-(3-methoxy-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide?

2-(3-methoxy-2-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 1.41, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxy-2-methylbutoxy)-2-methyl-N-[2-[2-[2-[4-(2-methylidene-5-oxopyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 143960063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).