N-(diethoxymethyl)prop-2-enamide

C8H15NO3 — CID 18326984

IUPACN-(diethoxymethyl)prop-2-enamide
SMILESC=CC(=O)NC(OCC)OCC
InChIInChI=1S/C8H15NO3/c1-4-7(10)9-8(11-5-2)12-6-3/h4,8H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyKMIUJQWGFYFYSV-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.65
Rot. Bonds6

About N-(diethoxymethyl)prop-2-enamide

N-(diethoxymethyl)prop-2-enamide (PubChem CID 18326984) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(diethoxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(diethoxymethyl)prop-2-enamide
PubChem CID18326984
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-(diethoxymethyl)prop-2-enamide
SMILESC=CC(=O)NC(OCC)OCC
InChIInChI=1S/C8H15NO3/c1-4-7(10)9-8(11-5-2)12-6-3/h4,8H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyKMIUJQWGFYFYSV-UHFFFAOYSA-N
XLogP0.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(diethoxymethyl)prop-2-enamide?
The IUPAC name of N-(diethoxymethyl)prop-2-enamide (CID 18326984) is N-(diethoxymethyl)prop-2-enamide.
What is the SMILES notation for N-(diethoxymethyl)prop-2-enamide?
The canonical SMILES for N-(diethoxymethyl)prop-2-enamide is C=CC(=O)NC(OCC)OCC.
What is the InChIKey of N-(diethoxymethyl)prop-2-enamide?
The InChIKey is KMIUJQWGFYFYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-7(10)9-8(11-5-2)12-6-3/h4,8H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of N-(diethoxymethyl)prop-2-enamide?
N-(diethoxymethyl)prop-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxymethyl)prop-2-enamide is sourced from PubChem (CID 18326984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).