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

C11H15N3O4 — CID 59992622

IUPACN-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15N3O4/c1-8(15)12-5-6-13-9(16)4-7-14-10(17)2-3-11(14)18/h2-3H,4-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyLMUITLQEEPCWGQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.45
Rot. Bonds6

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

N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 59992622) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID59992622
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15N3O4/c1-8(15)12-5-6-13-9(16)4-7-14-10(17)2-3-11(14)18/h2-3H,4-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyLMUITLQEEPCWGQ-UHFFFAOYSA-N
XLogP-1.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
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 N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 59992622) is N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is LMUITLQEEPCWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8(15)12-5-6-13-9(16)4-7-14-10(17)2-3-11(14)18/h2-3H,4-7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 253.26 g/mol, XLogP of -1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 59992622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).