N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide

C20H25N3O6 — CID 158273477

IUPACN,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide
SMILESCC(C)(C)C(=O)CCC(=O)N(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H25N3O6/c1-20(2,3)14(24)4-5-15(25)21(10-12-22-16(26)6-7-17(22)27)11-13-23-18(28)8-9-19(23)29/h6-9H,4-5,10-13H2,1-3H3
InChIKeyCVZPMWIJJFTJEF-UHFFFAOYSA-N
MW403.44 g/mol
LogP0.06
Rot. Bonds9

About N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide

N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide (PubChem CID 158273477) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide.

Molecular Properties

Compound NameN,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide
PubChem CID158273477
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC NameN,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide
SMILESCC(C)(C)C(=O)CCC(=O)N(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H25N3O6/c1-20(2,3)14(24)4-5-15(25)21(10-12-22-16(26)6-7-17(22)27)11-13-23-18(28)8-9-19(23)29/h6-9H,4-5,10-13H2,1-3H3
InChIKeyCVZPMWIJJFTJEF-UHFFFAOYSA-N
XLogP0.06
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide?
The IUPAC name of N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide (CID 158273477) is N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide.
What is the SMILES notation for N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide?
The canonical SMILES for N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide is CC(C)(C)C(=O)CCC(=O)N(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide?
The InChIKey is CVZPMWIJJFTJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-20(2,3)14(24)4-5-15(25)21(10-12-22-16(26)6-7-17(22)27)11-13-23-18(28)8-9-19(23)29/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide?
N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide has a molecular weight of 403.44 g/mol, XLogP of 0.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-5,5-dimethyl-4-oxohexanamide is sourced from PubChem (CID 158273477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).