3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide

C15H22N2O4 — CID 21299483

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide
SMILESCCC(=O)C(C)CCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H22N2O4/c1-3-12(18)11(2)5-4-9-16-13(19)8-10-17-14(20)6-7-15(17)21/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,19)
InChIKeyYYQRXRDPWJIXTL-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.81
Rot. Bonds9

About 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide (PubChem CID 21299483) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide
PubChem CID21299483
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide
SMILESCCC(=O)C(C)CCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H22N2O4/c1-3-12(18)11(2)5-4-9-16-13(19)8-10-17-14(20)6-7-15(17)21/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,19)
InChIKeyYYQRXRDPWJIXTL-UHFFFAOYSA-N
XLogP0.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide (CID 21299483) is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide is CCC(=O)C(C)CCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide?
The InChIKey is YYQRXRDPWJIXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-12(18)11(2)5-4-9-16-13(19)8-10-17-14(20)6-7-15(17)21/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 0.81, 9 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-(4-methyl-5-oxoheptyl)propanamide is sourced from PubChem (CID 21299483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).