6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane

C21H37N5O7 — CID 158276267

IUPAC6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane
SMILESC.CNC(CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O
InChIInChI=1S/C20H33N5O7.CH4/c1-22-15(20(21)30)4-2-3-8-23-17(27)14-32-13-12-31-11-9-24-16(26)7-10-25-18(28)5-6-19(25)29;/h5-6,15,22H,2-4,7-14H2,1H3,(H2,21,30)(H,23,27)(H,24,26);1H4
InChIKeyGJQJWFJUMWKSDY-UHFFFAOYSA-N
MW471.56 g/mol
LogP-1.55
Rot. Bonds18

About 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane

6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane (PubChem CID 158276267) has the molecular formula C21H37N5O7 and a molecular weight of 471.56 g/mol. Its IUPAC name is 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane.

Molecular Properties

Compound Name6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane
PubChem CID158276267
Molecular FormulaC21H37N5O7
Molecular Weight471.56 g/mol
Exact Mass471.27
IUPAC Name6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane
SMILESC.CNC(CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O
InChIInChI=1S/C20H33N5O7.CH4/c1-22-15(20(21)30)4-2-3-8-23-17(27)14-32-13-12-31-11-9-24-16(26)7-10-25-18(28)5-6-19(25)29;/h5-6,15,22H,2-4,7-14H2,1H3,(H2,21,30)(H,23,27)(H,24,26);1H4
InChIKeyGJQJWFJUMWKSDY-UHFFFAOYSA-N
XLogP-1.55
TPSA169.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane?
The IUPAC name of 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane (CID 158276267) is 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane.
What is the SMILES notation for 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane?
The canonical SMILES for 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane is C.CNC(CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O.
What is the InChIKey of 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane?
The InChIKey is GJQJWFJUMWKSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O7.CH4/c1-22-15(20(21)30)4-2-3-8-23-17(27)14-32-13-12-31-11-9-24-16(26)7-10-25-18(28)5-6-19(25)29;/h5-6,15,22H,2-4,7-14H2,1H3,(H2,21,30)(H,23,27)(H,24,26);1H4.
What are the key properties of 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane?
6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane has a molecular weight of 471.56 g/mol, XLogP of -1.55, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide;methane is sourced from PubChem (CID 158276267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).