N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide

C13H24N2O5 — CID 118334726

IUPACN-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOCCNC(C)=O
InChIInChI=1S/C13H24N2O5/c1-3-13(17)15-5-7-19-9-11-20-10-8-18-6-4-14-12(2)16/h3H,1,4-11H2,2H3,(H,14,16)(H,15,17)
InChIKeyLJKCTAREOMCVEV-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.53
Rot. Bonds13

About N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide

N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 118334726) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID118334726
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC NameN-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOCCNC(C)=O
InChIInChI=1S/C13H24N2O5/c1-3-13(17)15-5-7-19-9-11-20-10-8-18-6-4-14-12(2)16/h3H,1,4-11H2,2H3,(H,14,16)(H,15,17)
InChIKeyLJKCTAREOMCVEV-UHFFFAOYSA-N
XLogP-0.53
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))diacrylamide
CID 42636032
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
N,n'-diacryloyl-4,7,10-trioxa-1,13-tridecanediamine
CID 11500839
2-Propenamide, N-(2-ethoxyethyl)-
CID 11955395
N-(2-methoxyethyl)acrylamide
CID 11976962
1-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione
CID 22377694
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)acrylamide
CID 89746615
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
CID 91317844
N-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914434
N-(17-azido-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914462
2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433411

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide (CID 118334726) is N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCCOCCOCCNC(C)=O.
What is the InChIKey of N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is LJKCTAREOMCVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-3-13(17)15-5-7-19-9-11-20-10-8-18-6-4-14-12(2)16/h3H,1,4-11H2,2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 288.34 g/mol, XLogP of -0.53, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 118334726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).