N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide

C14H21N3O5 — CID 59156932

IUPACN-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NC(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-4-22-9(2)14(21)16-10(3)15-11(18)7-8-17-12(19)5-6-13(17)20/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)(H,16,21)
InChIKeyHJPRZFMLBLLADE-UHFFFAOYSA-N
MW311.34 g/mol
LogP-0.70
Rot. Bonds8

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

N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide (PubChem CID 59156932) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
PubChem CID59156932
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC NameN-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NC(C)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-4-22-9(2)14(21)16-10(3)15-11(18)7-8-17-12(19)5-6-13(17)20/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)(H,16,21)
InChIKeyHJPRZFMLBLLADE-UHFFFAOYSA-N
XLogP-0.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide?
The IUPAC name of N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide (CID 59156932) is N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide?
The canonical SMILES for N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide is CCOC(C)C(=O)NC(C)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide?
The InChIKey is HJPRZFMLBLLADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-4-22-9(2)14(21)16-10(3)15-11(18)7-8-17-12(19)5-6-13(17)20/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)(H,16,21).
What are the key properties of N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide?
N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide has a molecular weight of 311.34 g/mol, XLogP of -0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide is sourced from PubChem (CID 59156932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).