(E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide

C8H13ClN2O3 — CID 174324474

IUPAC(E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide
SMILESCCOCN(C=O)/C(Cl)=C\C(=O)NC
InChIInChI=1S/C8H13ClN2O3/c1-3-14-6-11(5-12)7(9)4-8(13)10-2/h4-5H,3,6H2,1-2H3,(H,10,13)/b7-4-
InChIKeyBEENENSAWKDGKS-DAXSKMNVSA-N
MW220.66 g/mol
LogP0.26
Rot. Bonds6

About (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide

(E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide (PubChem CID 174324474) has the molecular formula C8H13ClN2O3 and a molecular weight of 220.66 g/mol. Its IUPAC name is (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide
PubChem CID174324474
Molecular FormulaC8H13ClN2O3
Molecular Weight220.66 g/mol
Exact Mass220.06
IUPAC Name(E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide
SMILESCCOCN(C=O)/C(Cl)=C\C(=O)NC
InChIInChI=1S/C8H13ClN2O3/c1-3-14-6-11(5-12)7(9)4-8(13)10-2/h4-5H,3,6H2,1-2H3,(H,10,13)/b7-4-
InChIKeyBEENENSAWKDGKS-DAXSKMNVSA-N
XLogP0.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide (CID 174324474) is (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide is CCOCN(C=O)/C(Cl)=C\C(=O)NC.
What is the InChIKey of (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide?
The InChIKey is BEENENSAWKDGKS-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13ClN2O3/c1-3-14-6-11(5-12)7(9)4-8(13)10-2/h4-5H,3,6H2,1-2H3,(H,10,13)/b7-4-.
What are the key properties of (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide?
(E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide has a molecular weight of 220.66 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-3-[ethoxymethyl(formyl)amino]-N-methylprop-2-enamide is sourced from PubChem (CID 174324474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).