N-[2-(2-aminoethoxy)ethyl]prop-2-enamide

C7H14N2O2 — CID 88553408

IUPACN-[2-(2-aminoethoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCN
InChIInChI=1S/C7H14N2O2/c1-2-7(10)9-4-6-11-5-3-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyIYYGOKWYHQMVRJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.74
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]prop-2-enamide

N-[2-(2-aminoethoxy)ethyl]prop-2-enamide (PubChem CID 88553408) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]prop-2-enamide
PubChem CID88553408
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCN
InChIInChI=1S/C7H14N2O2/c1-2-7(10)9-4-6-11-5-3-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyIYYGOKWYHQMVRJ-UHFFFAOYSA-N
XLogP-0.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
tert-butyl N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 101164544
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 166503839
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
3-[2-(prop-2-enoylamino)ethoxy]propane-1-sulfonate
CID 154597585
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
ethenyl 2-(prop-2-enoylamino)ethyl carbonate
CID 146262036
2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
CID 143586644
2-hydroxyethyl-dimethyl-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]azanium
CID 58085082

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]prop-2-enamide (CID 88553408) is N-[2-(2-aminoethoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]prop-2-enamide is C=CC(=O)NCCOCCN.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]prop-2-enamide?
The InChIKey is IYYGOKWYHQMVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-7(10)9-4-6-11-5-3-8/h2H,1,3-6,8H2,(H,9,10).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]prop-2-enamide?
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide has a molecular weight of 158.20 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 88553408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).