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

C11H17N3O4 — CID 134232044

IUPACN-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O4/c12-4-7-18-8-5-13-9(15)3-6-14-10(16)1-2-11(14)17/h1-2H,3-8,12H2,(H,13,15)
InChIKeyHRVWGJGMHUJDHC-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.61
Rot. Bonds8

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

N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 134232044) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID134232044
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O4/c12-4-7-18-8-5-13-9(15)3-6-14-10(16)1-2-11(14)17/h1-2H,3-8,12H2,(H,13,15)
InChIKeyHRVWGJGMHUJDHC-UHFFFAOYSA-N
XLogP-1.61
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 134232044) is N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is NCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is HRVWGJGMHUJDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c12-4-7-18-8-5-13-9(15)3-6-14-10(16)1-2-11(14)17/h1-2H,3-8,12H2,(H,13,15).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 255.27 g/mol, XLogP of -1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 134232044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).