3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide

C10H19NO3 — CID 87598895

IUPAC3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide
SMILESCCOC=CC(=O)NCCCOCC
InChIInChI=1S/C10H19NO3/c1-3-13-8-5-7-11-10(12)6-9-14-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,11,12)
InChIKeyKEMPUEBIMJKOIX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.08
Rot. Bonds8

About 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide

3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide (PubChem CID 87598895) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide
PubChem CID87598895
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide
SMILESCCOC=CC(=O)NCCCOCC
InChIInChI=1S/C10H19NO3/c1-3-13-8-5-7-11-10(12)6-9-14-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,11,12)
InChIKeyKEMPUEBIMJKOIX-UHFFFAOYSA-N
XLogP1.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide?
The IUPAC name of 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide (CID 87598895) is 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide.
What is the SMILES notation for 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide?
The canonical SMILES for 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide is CCOC=CC(=O)NCCCOCC.
What is the InChIKey of 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide?
The InChIKey is KEMPUEBIMJKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-13-8-5-7-11-10(12)6-9-14-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,11,12).
What are the key properties of 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide?
3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-ethoxypropyl)prop-2-enamide is sourced from PubChem (CID 87598895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).