N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide

C13H20N4O4 — CID 90385920

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide
SMILESCCNCC(=O)NCCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N4O4/c1-2-14-9-11(19)15-6-5-10(18)16-7-8-17-12(20)3-4-13(17)21/h3-4,14H,2,5-9H2,1H3,(H,15,19)(H,16,18)
InChIKeyNUZKLLDHEMIMFJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.86
Rot. Bonds9

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide (PubChem CID 90385920) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide
PubChem CID90385920
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide
SMILESCCNCC(=O)NCCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N4O4/c1-2-14-9-11(19)15-6-5-10(18)16-7-8-17-12(20)3-4-13(17)21/h3-4,14H,2,5-9H2,1H3,(H,15,19)(H,16,18)
InChIKeyNUZKLLDHEMIMFJ-UHFFFAOYSA-N
XLogP-1.86
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]carbamoyl fluoride
CID 144854244
1-[3-[2-(2-Aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione
CID 91552481
(E)-N',N'-bis(2-aminoacetyl)-N,N-diethylbut-2-enediamide
CID 18959792
1-[2-(Ethylamino)acetyl]pyrrole-2,5-dione
CID 18967970
1-[2-[3-(Methylamino)propylamino]ethyl]pyrrole-2,5-dione
CID 20666018
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide
CID 20710717
3-[[2-[[2-(2-Carboxyethylamino)-2-oxoethyl]-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]acetyl]amino]propanoic acid
CID 20740612
2-(2,5-dioxopyrrol-1-yl)-N-ethylacetamide
CID 20755659
methyl N-[3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propyl]carbamate
CID 21042085
N-(3-acetamidopropyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 21042088
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 21135495
N-[2-(aminomethylamino)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21135498

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide (CID 90385920) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide is CCNCC(=O)NCCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide?
The InChIKey is NUZKLLDHEMIMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-2-14-9-11(19)15-6-5-10(18)16-7-8-17-12(20)3-4-13(17)21/h3-4,14H,2,5-9H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide has a molecular weight of 296.33 g/mol, XLogP of -1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[[2-(ethylamino)acetyl]amino]propanamide is sourced from PubChem (CID 90385920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).