N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide

C13H21N3O5 — CID 163909802

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide
SMILESNCCOCCOCCNC(=O)CN1CC(=O)C=CC1=O
InChIInChI=1S/C13H21N3O5/c14-3-5-20-7-8-21-6-4-15-12(18)10-16-9-11(17)1-2-13(16)19/h1-2H,3-10,14H2,(H,15,18)
InChIKeyQRCGPPWDYCCXIT-UHFFFAOYSA-N
MW299.33 g/mol
LogP-1.94
Rot. Bonds10

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide (PubChem CID 163909802) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide
PubChem CID163909802
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide
SMILESNCCOCCOCCNC(=O)CN1CC(=O)C=CC1=O
InChIInChI=1S/C13H21N3O5/c14-3-5-20-7-8-21-6-4-15-12(18)10-16-9-11(17)1-2-13(16)19/h1-2H,3-10,14H2,(H,15,18)
InChIKeyQRCGPPWDYCCXIT-UHFFFAOYSA-N
XLogP-1.94
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 134608618
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 172820590
2-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 145373161
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 154704767
N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate
CID 162148016
4-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-(sulfanylmethyl)butanoic acid
CID 145418066
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethyl hydrogen carbonate
CID 134600059
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-[2-(2-methoxyethoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78874251

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide (CID 163909802) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide is NCCOCCOCCNC(=O)CN1CC(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide?
The InChIKey is QRCGPPWDYCCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c14-3-5-20-7-8-21-6-4-15-12(18)10-16-9-11(17)1-2-13(16)19/h1-2H,3-10,14H2,(H,15,18).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of -1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(3,6-dioxo-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 163909802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).