N-(ethoxymethyl)-N-ethylprop-2-enamide

C8H15NO2 — CID 21291107

IUPACN-(ethoxymethyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)COCC
InChIInChI=1S/C8H15NO2/c1-4-8(10)9(5-2)7-11-6-3/h4H,1,5-7H2,2-3H3
InChIKeyIBSDJFVPUBCZNL-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.01
Rot. Bonds5

About N-(ethoxymethyl)-N-ethylprop-2-enamide

N-(ethoxymethyl)-N-ethylprop-2-enamide (PubChem CID 21291107) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(ethoxymethyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-N-ethylprop-2-enamide
PubChem CID21291107
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(ethoxymethyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)COCC
InChIInChI=1S/C8H15NO2/c1-4-8(10)9(5-2)7-11-6-3/h4H,1,5-7H2,2-3H3
InChIKeyIBSDJFVPUBCZNL-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(ethoxymethyl)-N-ethylprop-2-enamide?
The IUPAC name of N-(ethoxymethyl)-N-ethylprop-2-enamide (CID 21291107) is N-(ethoxymethyl)-N-ethylprop-2-enamide.
What is the SMILES notation for N-(ethoxymethyl)-N-ethylprop-2-enamide?
The canonical SMILES for N-(ethoxymethyl)-N-ethylprop-2-enamide is C=CC(=O)N(CC)COCC.
What is the InChIKey of N-(ethoxymethyl)-N-ethylprop-2-enamide?
The InChIKey is IBSDJFVPUBCZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(10)9(5-2)7-11-6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of N-(ethoxymethyl)-N-ethylprop-2-enamide?
N-(ethoxymethyl)-N-ethylprop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 21291107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).