N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide

C10H17NO3 — CID 132577956

IUPACN-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide
SMILESC=CCOC(C)OCCNC(=O)C=C
InChIInChI=1S/C10H17NO3/c1-4-7-13-9(3)14-8-6-11-10(12)5-2/h4-5,9H,1-2,6-8H2,3H3,(H,11,12)
InChIKeyOFUVTNFVQYLZIB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.85
Rot. Bonds8

About N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide

N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide (PubChem CID 132577956) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide
PubChem CID132577956
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide
SMILESC=CCOC(C)OCCNC(=O)C=C
InChIInChI=1S/C10H17NO3/c1-4-7-13-9(3)14-8-6-11-10(12)5-2/h4-5,9H,1-2,6-8H2,3H3,(H,11,12)
InChIKeyOFUVTNFVQYLZIB-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide (CID 132577956) is N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide is C=CCOC(C)OCCNC(=O)C=C.
What is the InChIKey of N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide?
The InChIKey is OFUVTNFVQYLZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-7-13-9(3)14-8-6-11-10(12)5-2/h4-5,9H,1-2,6-8H2,3H3,(H,11,12).
What are the key properties of N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide?
N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-prop-2-enoxyethoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 132577956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).