3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide

C17H28N2O4 — CID 126550636

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
SMILESCC(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H28N2O4/c1-13(2)8-12-23-17(3,4)9-10-18-14(20)7-11-19-15(21)5-6-16(19)22/h5-6,13H,7-12H2,1-4H3,(H,18,20)
InChIKeySWJGXXGUFBCPDG-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.65
Rot. Bonds10

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide (PubChem CID 126550636) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
PubChem CID126550636
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
SMILESCC(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H28N2O4/c1-13(2)8-12-23-17(3,4)9-10-18-14(20)7-11-19-15(21)5-6-16(19)22/h5-6,13H,7-12H2,1-4H3,(H,18,20)
InChIKeySWJGXXGUFBCPDG-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide (CID 126550636) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide is CC(C)CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide?
The InChIKey is SWJGXXGUFBCPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-13(2)8-12-23-17(3,4)9-10-18-14(20)7-11-19-15(21)5-6-16(19)22/h5-6,13H,7-12H2,1-4H3,(H,18,20).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide has a molecular weight of 324.42 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide is sourced from PubChem (CID 126550636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).