2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide

C15H20ClN3O3 — CID 26430688

IUPAC2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)CCOc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-3-8-17-15(21)18-14(20)11-19(2)9-10-22-13-7-5-4-6-12(13)16/h3-7H,1,8-11H2,2H3,(H2,17,18,20,21)
InChIKeySFIIYSWFNZVEJC-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.66
Rot. Bonds8

About 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide

2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 26430688) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID26430688
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)CCOc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-3-8-17-15(21)18-14(20)11-19(2)9-10-22-13-7-5-4-6-12(13)16/h3-7H,1,8-11H2,2H3,(H2,17,18,20,21)
InChIKeySFIIYSWFNZVEJC-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302921
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 27122687
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 112775456
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 26387450
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 26430816
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959
N-[(2-chlorophenyl)methyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 9333391
2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 60572967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide (CID 26430688) is 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN(C)CCOc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is SFIIYSWFNZVEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-3-8-17-15(21)18-14(20)11-19(2)9-10-22-13-7-5-4-6-12(13)16/h3-7H,1,8-11H2,2H3,(H2,17,18,20,21).
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide?
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 325.80 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 26430688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).