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

C8H16N2O2 — CID 76769335

IUPACN-[2-(2-aminoethoxy)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCOCCN
InChIInChI=1S/C8H16N2O2/c1-2-3-8(11)10-5-7-12-6-4-9/h2-3H,4-7,9H2,1H3,(H,10,11)
InChIKeyJXYKKHFDZBLQAO-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.35
Rot. Bonds6

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

N-[2-(2-aminoethoxy)ethyl]but-2-enamide (PubChem CID 76769335) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]but-2-enamide
PubChem CID76769335
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[2-(2-aminoethoxy)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCOCCN
InChIInChI=1S/C8H16N2O2/c1-2-3-8(11)10-5-7-12-6-4-9/h2-3H,4-7,9H2,1H3,(H,10,11)
InChIKeyJXYKKHFDZBLQAO-UHFFFAOYSA-N
XLogP-0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.35
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,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))diacrylamide
CID 42636032
(E)-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 89242760
1-[2-(2-aminoethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 91667266
2-Propenamide, N-(2-ethoxyethyl)-
CID 11955395
N-(2-methoxyethyl)acrylamide
CID 11976962
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582
N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)acrylamide
CID 89746615
1-[2-(2-Aminoethoxy)ethyl]pyrrole-2,5-dione
CID 53691548
N-(17-amino-3,6,9,12,15-pentaoxaheptadecyl)acrylamide
CID 172914434
(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-enamide
CID 103082573
N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-enamide
CID 112725256
ethyl 2-[[(E)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-enoyl]amino]acetate
CID 121010917

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]but-2-enamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]but-2-enamide (CID 76769335) is N-[2-(2-aminoethoxy)ethyl]but-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]but-2-enamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]but-2-enamide is CC=CC(=O)NCCOCCN.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]but-2-enamide?
The InChIKey is JXYKKHFDZBLQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-8(11)10-5-7-12-6-4-9/h2-3H,4-7,9H2,1H3,(H,10,11).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]but-2-enamide?
N-[2-(2-aminoethoxy)ethyl]but-2-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.35, 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]but-2-enamide is sourced from PubChem (CID 76769335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).