N-[ethoxy(methoxy)methyl]prop-2-enamide

C7H13NO3 — CID 87520569

IUPACN-[ethoxy(methoxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(OC)OCC
InChIInChI=1S/C7H13NO3/c1-4-6(9)8-7(10-3)11-5-2/h4,7H,1,5H2,2-3H3,(H,8,9)
InChIKeyKOOWKDOSQFTBFI-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.26
Rot. Bonds5

About N-[ethoxy(methoxy)methyl]prop-2-enamide

N-[ethoxy(methoxy)methyl]prop-2-enamide (PubChem CID 87520569) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-[ethoxy(methoxy)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[ethoxy(methoxy)methyl]prop-2-enamide
PubChem CID87520569
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-[ethoxy(methoxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(OC)OCC
InChIInChI=1S/C7H13NO3/c1-4-6(9)8-7(10-3)11-5-2/h4,7H,1,5H2,2-3H3,(H,8,9)
InChIKeyKOOWKDOSQFTBFI-UHFFFAOYSA-N
XLogP0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.26
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-[ethoxy(methoxy)methyl]prop-2-enamide?
The IUPAC name of N-[ethoxy(methoxy)methyl]prop-2-enamide (CID 87520569) is N-[ethoxy(methoxy)methyl]prop-2-enamide.
What is the SMILES notation for N-[ethoxy(methoxy)methyl]prop-2-enamide?
The canonical SMILES for N-[ethoxy(methoxy)methyl]prop-2-enamide is C=CC(=O)NC(OC)OCC.
What is the InChIKey of N-[ethoxy(methoxy)methyl]prop-2-enamide?
The InChIKey is KOOWKDOSQFTBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-6(9)8-7(10-3)11-5-2/h4,7H,1,5H2,2-3H3,(H,8,9).
What are the key properties of N-[ethoxy(methoxy)methyl]prop-2-enamide?
N-[ethoxy(methoxy)methyl]prop-2-enamide has a molecular weight of 159.18 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(methoxy)methyl]prop-2-enamide is sourced from PubChem (CID 87520569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).