N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide

C17H23ClN2O3 — CID 35426677

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c18-15-3-1-2-14(12-15)4-7-19-16(21)13-20-8-5-17(6-9-20)22-10-11-23-17/h1-3,12H,4-11,13H2,(H,19,21)
InChIKeyYFIQUOVQIHCTIR-UHFFFAOYSA-N
MW338.83 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 35426677) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
PubChem CID35426677
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c18-15-3-1-2-14(12-15)4-7-19-16(21)13-20-8-5-17(6-9-20)22-10-11-23-17/h1-3,12H,4-11,13H2,(H,19,21)
InChIKeyYFIQUOVQIHCTIR-UHFFFAOYSA-N
XLogP1.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)-N~1~-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-YL)acetamide
CID 4594941
2-(4-Chlorophenyl)-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-YL}-N-(3-ethoxypropyl)acetamide
CID 3240877
1-(3-Chlorobenzyl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]imidazolidin-2-one
CID 3241162
2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 22421700
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 35425060
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985182
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985310
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000138
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000271
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(4-fluorophenyl)ethylamino]ethanone
CID 109000408
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133844836
N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2179954

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CID 35426677) is N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is O=C(CN1CCC2(CC1)OCCO2)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is YFIQUOVQIHCTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-15-3-1-2-14(12-15)4-7-19-16(21)13-20-8-5-17(6-9-20)22-10-11-23-17/h1-3,12H,4-11,13H2,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 338.83 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 35426677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).