3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide

C11H13ClN2O2 — CID 57068035

IUPAC3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide
SMILESC=C(NOCCC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c1-8(14-16-7-6-11(13)15)9-2-4-10(12)5-3-9/h2-5,14H,1,6-7H2,(H2,13,15)
InChIKeyIKHUBCUKZICKIO-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.71
Rot. Bonds6

About 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide

3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide (PubChem CID 57068035) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide
PubChem CID57068035
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide
SMILESC=C(NOCCC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c1-8(14-16-7-6-11(13)15)9-2-4-10(12)5-3-9/h2-5,14H,1,6-7H2,(H2,13,15)
InChIKeyIKHUBCUKZICKIO-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-Chlorophenyl)ethenylamino]oxyacetamide
CID 56975337
N-[1-(4-chlorophenyl)ethenylamino]oxy-N-methylacetamide
CID 56990111
N-[1-(4-chlorophenyl)ethenylamino]oxyacetamide
CID 56990726
N-[1-(4-chlorophenyl)ethenylamino]oxyacetohydrazide
CID 57054215
3-[1-(4-Chlorophenyl)prop-1-enylamino]oxypropanoic acid
CID 57055646
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetonitrile
CID 57109794
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetyl chloride
CID 57145515
3-[1-(4-Chlorophenyl)ethenylamino]oxypropanoic acid
CID 57171435
[1-(4-Chlorophenyl)ethenylamino] acetate
CID 57179071
N-[1-(3,4-dichlorophenyl)ethenylamino]oxyacetamide
CID 57203187
2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide
CID 57256493
1-(4-chlorophenyl)-N-methoxyethenamine
CID 57258971

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide (CID 57068035) is 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide is C=C(NOCCC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide?
The InChIKey is IKHUBCUKZICKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-8(14-16-7-6-11(13)15)9-2-4-10(12)5-3-9/h2-5,14H,1,6-7H2,(H2,13,15).
What are the key properties of 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide?
3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide has a molecular weight of 240.69 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethenylamino]oxypropanamide is sourced from PubChem (CID 57068035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).