N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide

C16H19ClN2O4 — CID 44901886

IUPACN-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19ClN2O4/c17-13-3-1-12(2-4-13)11-18-14(20)15(21)19-7-5-16(6-8-19)22-9-10-23-16/h1-4H,5-11H2,(H,18,20)
InChIKeyPGALBTGKOZPXEW-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.32
Rot. Bonds2

About N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide

N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (PubChem CID 44901886) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
PubChem CID44901886
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19ClN2O4/c17-13-3-1-12(2-4-13)11-18-14(20)15(21)19-7-5-16(6-8-19)22-9-10-23-16/h1-4H,5-11H2,(H,18,20)
InChIKeyPGALBTGKOZPXEW-UHFFFAOYSA-N
XLogP1.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6465678
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422
2-(4-Chlorophenyl)-N~1~-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-YL)acetamide
CID 4594941
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide
CID 20851421
1-(4-Chlorobenzyl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]imidazolidin-2-one
CID 3236743
2-(4-Chlorophenyl)-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-YL}-N-(3-ethoxypropyl)acetamide
CID 3240877
1-[(2-Chlorophenyl)methyl]-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}pyrrolidin-2-one
CID 4573988
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 1439923
1-(3-Chlorobenzyl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]imidazolidin-2-one
CID 3241162
N-(2-{4-[1-(4-chlorobenzyl)-3-pyrrolidinyl]-1-piperidinyl}-2-oxoethyl)acetamide
CID 45251148
2-{[(2,6-Difluorophenyl)methyl]amino}-1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one
CID 60159929

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (CID 44901886) is N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is O=C(NCc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The InChIKey is PGALBTGKOZPXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c17-13-3-1-12(2-4-13)11-18-14(20)15(21)19-7-5-16(6-8-19)22-9-10-23-16/h1-4H,5-11H2,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide has a molecular weight of 338.79 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is sourced from PubChem (CID 44901886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).