2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide

C14H21N3O5 — CID 58340888

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide
SMILESCCOC(C)C(=O)NC(C)NC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-5-22-9(3)14(21)16-10(4)15-13(20)8(2)17-11(18)6-7-12(17)19/h6-10H,5H2,1-4H3,(H,15,20)(H,16,21)
InChIKeyXJYJIAKVUMUTPI-UHFFFAOYSA-N
MW311.34 g/mol
LogP-0.70
Rot. Bonds7

About 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide

2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide (PubChem CID 58340888) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide
PubChem CID58340888
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide
SMILESCCOC(C)C(=O)NC(C)NC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-5-22-9(3)14(21)16-10(4)15-13(20)8(2)17-11(18)6-7-12(17)19/h6-10H,5H2,1-4H3,(H,15,20)(H,16,21)
InChIKeyXJYJIAKVUMUTPI-UHFFFAOYSA-N
XLogP-0.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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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Related Compounds

N-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-N'-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-(2-ethoxypropanoylamino)butanediamide
CID 157358473
2-(2,5-dioxopyrrol-1-yl)-N-[1-[1-[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
CID 88555469
ethyl N-[1-[[1-[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-5-[1-(2-methylpropanoylamino)ethylamino]-1,5-dioxopentan-3-yl]amino]-6-(ethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 88859808
methyl N-[1-[[1,4-bis[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-1,4-dioxobutan-2-yl]amino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 89072508
N-(1-acetamidoethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 88912815
methyl N-[1-[[1,5-bis[1-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-1,5-dioxopentan-3-yl]amino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 88560730
ethane;1-(3-oxobutan-2-yl)pyrrole-2,5-dione
CID 176999614
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide
CID 155058671
2-ethoxy-N-propan-2-ylpropanamide;2-methoxy-N-propan-2-ylbutanamide
CID 169160521
2-(2,5-dioxopyrrol-1-yl)pentanehydrazide
CID 175837532
methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate
CID 94819141

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide (CID 58340888) is 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide is CCOC(C)C(=O)NC(C)NC(=O)C(C)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide?
The InChIKey is XJYJIAKVUMUTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-5-22-9(3)14(21)16-10(4)15-13(20)8(2)17-11(18)6-7-12(17)19/h6-10H,5H2,1-4H3,(H,15,20)(H,16,21).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide?
2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide has a molecular weight of 311.34 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-[1-(2-ethoxypropanoylamino)ethyl]propanamide is sourced from PubChem (CID 58340888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).