N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide

C15H20ClN3O3 — CID 72939362

IUPACN-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide
SMILESCN(CCCOc1ccccc1Cl)C(=O)CN1CCNC1=O
InChIInChI=1S/C15H20ClN3O3/c1-18(14(20)11-19-9-7-17-15(19)21)8-4-10-22-13-6-3-2-5-12(13)16/h2-3,5-6H,4,7-11H2,1H3,(H,17,21)
InChIKeyLEHUSKRZOMFXOF-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.59
Rot. Bonds7

About N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide

N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide (PubChem CID 72939362) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide
PubChem CID72939362
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide
SMILESCN(CCCOc1ccccc1Cl)C(=O)CN1CCNC1=O
InChIInChI=1S/C15H20ClN3O3/c1-18(14(20)11-19-9-7-17-15(19)21)8-4-10-22-13-6-3-2-5-12(13)16/h2-3,5-6H,4,7-11H2,1H3,(H,17,21)
InChIKeyLEHUSKRZOMFXOF-UHFFFAOYSA-N
XLogP1.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-Dichlorophenoxy)acetyl]imidazolidin-2-one
CID 9261898
1-[2-(2-Chlorophenoxy)acetyl]imidazolidin-2-one
CID 9503657
N,N'-bis[2-(2-chlorophenoxy)ethyl]ethanediamide
CID 1752522
3-[2-(2,3-Dichlorophenoxy)ethyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 973296
3-[4-(4-Chlorophenoxy)butyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2199845
5,5-Dimethyl-3-{2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl}-2,4-imidazolidinedione
CID 2215942
N-allyl-N'-[2-(2-chlorophenoxy)ethyl]ethanediamide
CID 2293244
1-[2-(2,4-Dichlorophenoxy)acetyl]imidazolidin-2-one
CID 328996
N-(2-(2-Chlorophenoxy)ethyl)acetamide
CID 2306761
3-[3-(4-Bromo-2-chlorophenoxy)propyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2216133
US11045457, Example 68
CID 146401935
Hydantoin, 1-(2-(2,4-dichlorophenoxy)ethoxy)-
CID 34853

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide (CID 72939362) is N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide is CN(CCCOc1ccccc1Cl)C(=O)CN1CCNC1=O.
What is the InChIKey of N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is LEHUSKRZOMFXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-18(14(20)11-19-9-7-17-15(19)21)8-4-10-22-13-6-3-2-5-12(13)16/h2-3,5-6H,4,7-11H2,1H3,(H,17,21).
What are the key properties of N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide?
N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 325.80 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-(2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 72939362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).