3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide

C15H23N3O5 — CID 71189969

IUPAC3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide
SMILESCCNC(=O)C(COCC)NC(=O)CCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C15H23N3O5/c1-4-16-14(21)11(9-23-5-2)17-12(19)6-7-18-13(20)8-10(3)15(18)22/h8,11H,4-7,9H2,1-3H3,(H,16,21)(H,17,19)
InChIKeyKUKYJAJBRZAQOJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.65
Rot. Bonds9

About 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide

3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide (PubChem CID 71189969) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide
PubChem CID71189969
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide
SMILESCCNC(=O)C(COCC)NC(=O)CCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C15H23N3O5/c1-4-16-14(21)11(9-23-5-2)17-12(19)6-7-18-13(20)8-10(3)15(18)22/h8,11H,4-7,9H2,1-3H3,(H,16,21)(H,17,19)
InChIKeyKUKYJAJBRZAQOJ-UHFFFAOYSA-N
XLogP-0.65
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide?
The IUPAC name of 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide (CID 71189969) is 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide.
What is the SMILES notation for 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide?
The canonical SMILES for 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide is CCNC(=O)C(COCC)NC(=O)CCN1C(=O)C=C(C)C1=O.
What is the InChIKey of 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide?
The InChIKey is KUKYJAJBRZAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-4-16-14(21)11(9-23-5-2)17-12(19)6-7-18-13(20)8-10(3)15(18)22/h8,11H,4-7,9H2,1-3H3,(H,16,21)(H,17,19).
What are the key properties of 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide?
3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide has a molecular weight of 325.37 g/mol, XLogP of -0.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide is sourced from PubChem (CID 71189969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).