N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide

C12H17N5O4 — CID 156598819

IUPACN-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
SMILES[N-]=[N+]=NCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17N5O4/c13-16-15-6-9-21-8-5-14-10(18)2-1-7-17-11(19)3-4-12(17)20/h3-4H,1-2,5-9H2,(H,14,18)
InChIKeyUJTIIYYOGYIYIS-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.13
Rot. Bonds10

About N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide

N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide (PubChem CID 156598819) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
PubChem CID156598819
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC NameN-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
SMILES[N-]=[N+]=NCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H17N5O4/c13-16-15-6-9-21-8-5-14-10(18)2-1-7-17-11(19)3-4-12(17)20/h3-4H,1-2,5-9H2,(H,14,18)
InChIKeyUJTIIYYOGYIYIS-UHFFFAOYSA-N
XLogP0.13
TPSA124.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide
CID 146614306
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propyl]propanamide
CID 170280660
3-[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]propoxy]propanoic acid
CID 168749936
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 171850558
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide
CID 11376281
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 158577719
2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethyl hydrogen carbonate
CID 134600059
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The IUPAC name of N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide (CID 156598819) is N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide.
What is the SMILES notation for N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The canonical SMILES for N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide is [N-]=[N+]=NCCOCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
The InChIKey is UJTIIYYOGYIYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c13-16-15-6-9-21-8-5-14-10(18)2-1-7-17-11(19)3-4-12(17)20/h3-4H,1-2,5-9H2,(H,14,18).
What are the key properties of N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide?
N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide has a molecular weight of 295.30 g/mol, XLogP of 0.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide is sourced from PubChem (CID 156598819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).