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

C13H20N2O3 — CID 21299487

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O3/c1-10(2)4-3-8-14-11(16)7-9-15-12(17)5-6-13(15)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyLKFGTMITLMWRSV-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.85
Rot. Bonds7

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

3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide (PubChem CID 21299487) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide
PubChem CID21299487
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O3/c1-10(2)4-3-8-14-11(16)7-9-15-12(17)5-6-13(15)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyLKFGTMITLMWRSV-UHFFFAOYSA-N
XLogP0.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylpentyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide (CID 21299487) is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide is CC(C)CCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide?
The InChIKey is LKFGTMITLMWRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)4-3-8-14-11(16)7-9-15-12(17)5-6-13(15)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide is sourced from PubChem (CID 21299487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).