N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide

C21H24N2O3 — CID 154881003

IUPACN-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccccc1OCC1CN1C1CCC1
InChIInChI=1S/C21H24N2O3/c24-21(15-25-18-9-2-1-3-10-18)22-19-11-4-5-12-20(19)26-14-17-13-23(17)16-7-6-8-16/h1-5,9-12,16-17H,6-8,13-15H2,(H,22,24)
InChIKeyKGNDOYIKLISTNJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.32
Rot. Bonds8

About N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide

N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide (PubChem CID 154881003) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide
PubChem CID154881003
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccccc1OCC1CN1C1CCC1
InChIInChI=1S/C21H24N2O3/c24-21(15-25-18-9-2-1-3-10-18)22-19-11-4-5-12-20(19)26-14-17-13-23(17)16-7-6-8-16/h1-5,9-12,16-17H,6-8,13-15H2,(H,22,24)
InChIKeyKGNDOYIKLISTNJ-UHFFFAOYSA-N
XLogP3.32
TPSA50.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 41386279
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-phenoxyacetamide
CID 53190515
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814765
2-(3-cyanophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 2591399
2-(4-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-phenoxyacetamide
CID 55801489

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide (CID 154881003) is N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccccc1OCC1CN1C1CCC1.
What is the InChIKey of N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide?
The InChIKey is KGNDOYIKLISTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(15-25-18-9-2-1-3-10-18)22-19-11-4-5-12-20(19)26-14-17-13-23(17)16-7-6-8-16/h1-5,9-12,16-17H,6-8,13-15H2,(H,22,24).
What are the key properties of N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide?
N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide has a molecular weight of 352.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 154881003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).