N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide

C13H19N5O5 — CID 118521730

IUPACN-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide
SMILES[N-]=[N+]=NCCOCCNC(=O)CCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H19N5O5/c14-17-16-5-9-23-8-4-15-11(19)3-7-22-10-6-18-12(20)1-2-13(18)21/h1-2H,3-10H2,(H,15,19)
InChIKeyJWROQHXTGXZVBA-UHFFFAOYSA-N
MW325.33 g/mol
LogP-0.24
Rot. Bonds12

About N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide

N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide (PubChem CID 118521730) has the molecular formula C13H19N5O5 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide.

Molecular Properties

Compound NameN-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide
PubChem CID118521730
Molecular FormulaC13H19N5O5
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide
SMILES[N-]=[N+]=NCCOCCNC(=O)CCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H19N5O5/c14-17-16-5-9-23-8-4-15-11(19)3-7-22-10-6-18-12(20)1-2-13(18)21/h1-2H,3-10H2,(H,15,19)
InChIKeyJWROQHXTGXZVBA-UHFFFAOYSA-N
XLogP-0.24
TPSA133.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 57747448
3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-methylhydrazinyl)-3-oxopropoxy]ethyl]propanamide
CID 57777125
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 58537159
3-[2-[2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide
CID 58685972
3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(2-ethylhydrazinyl)-3-oxopropoxy]ethyl]propanamide
CID 58747553
3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide
CID 58785854
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide
CID 59257569
N-[2-[3-(2-bromoethylamino)-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59274196
3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]propanamide
CID 59289112
N-(2-butoxyethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59289119

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide?
The IUPAC name of N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide (CID 118521730) is N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide.
What is the SMILES notation for N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide?
The canonical SMILES for N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide is [N-]=[N+]=NCCOCCNC(=O)CCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide?
The InChIKey is JWROQHXTGXZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O5/c14-17-16-5-9-23-8-4-15-11(19)3-7-22-10-6-18-12(20)1-2-13(18)21/h1-2H,3-10H2,(H,15,19).
What are the key properties of N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide?
N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide has a molecular weight of 325.33 g/mol, XLogP of -0.24, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-azidoethoxy)ethyl]-3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanamide is sourced from PubChem (CID 118521730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).