N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide

C12H19N3O5 — CID 21299428

IUPACN-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide
SMILESNCCNC(=O)COCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H19N3O5/c13-3-4-14-10(16)9-20-8-7-19-6-5-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16)
InChIKeyMZQKSTUKFHQTHI-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.98
Rot. Bonds10

About N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide

N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide (PubChem CID 21299428) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide
PubChem CID21299428
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC NameN-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide
SMILESNCCNC(=O)COCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H19N3O5/c13-3-4-14-10(16)9-20-8-7-19-6-5-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16)
InChIKeyMZQKSTUKFHQTHI-UHFFFAOYSA-N
XLogP-1.98
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
[2-[2-[2-(2-Aminoethoxy)ethoxy]ethylamino]-1-(2,5-dioxopyrrol-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 137440130
N-[(2,5-dioxopyrrol-1-yl)methyl]-2-(2-methoxyethoxy)acetamide
CID 18339262
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 22964483
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride
CID 53250844
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]formamide
CID 54479813
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(methylamino)-2-oxoethoxy]ethyl]propanamide
CID 57648845
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide
CID 57809569
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-[2-[2-[3-[3-(2-propoxyethoxy)propyldisulfanyl]propoxy]ethoxy]ethoxy]acetamide
CID 57880173

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide (CID 21299428) is N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide is NCCNC(=O)COCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide?
The InChIKey is MZQKSTUKFHQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c13-3-4-14-10(16)9-20-8-7-19-6-5-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide?
N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide has a molecular weight of 285.30 g/mol, XLogP of -1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide is sourced from PubChem (CID 21299428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).