N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide

C15H26N4O5 — CID 58340893

IUPACN-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCCOC(C)C(=O)NC(C)NC(=O)C(C)N1C(=O)CC(NC)C1=O
InChIInChI=1S/C15H26N4O5/c1-6-24-9(3)14(22)18-10(4)17-13(21)8(2)19-12(20)7-11(16-5)15(19)23/h8-11,16H,6-7H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyIDFOGQAKRHUBGL-UHFFFAOYSA-N
MW342.40 g/mol
LogP-1.27
Rot. Bonds8

About N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide

N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide (PubChem CID 58340893) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide
PubChem CID58340893
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC NameN-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCCOC(C)C(=O)NC(C)NC(=O)C(C)N1C(=O)CC(NC)C1=O
InChIInChI=1S/C15H26N4O5/c1-6-24-9(3)14(22)18-10(4)17-13(21)8(2)19-12(20)7-11(16-5)15(19)23/h8-11,16H,6-7H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyIDFOGQAKRHUBGL-UHFFFAOYSA-N
XLogP-1.27
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The IUPAC name of N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide (CID 58340893) is N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide is CCOC(C)C(=O)NC(C)NC(=O)C(C)N1C(=O)CC(NC)C1=O.
What is the InChIKey of N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The InChIKey is IDFOGQAKRHUBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-6-24-9(3)14(22)18-10(4)17-13(21)8(2)19-12(20)7-11(16-5)15(19)23/h8-11,16H,6-7H2,1-5H3,(H,17,21)(H,18,22).
What are the key properties of N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide has a molecular weight of 342.40 g/mol, XLogP of -1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxypropanoylamino)ethyl]-2-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 58340893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).